f97f42c0983d324b…

Compound
ID: 1130433 bytesFirst seen Jun 12, 20261 collection

Fields

NameValue
cid1130
exactMass265.11230735
hBondAcceptors5
hBondDonors2
inchiKeyJZRWCGZRTZMZEH-UHFFFAOYSA-N
iupacName2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol
molecularFormulaC12H17N4OS+
molecularWeight265.36
namethiamine
pubchemUrlhttps://pubchem.ncbi.nlm.nih.gov/compound/1130
rotatableBonds4
smilesnull
xLogP1

Canonical JSON

{
  "id": "1130",
  "type": "Compound",
  "data": {
    "cid": 1130,
    "exactMass": 265.11230735,
    "hBondAcceptors": 5,
    "hBondDonors": 2,
    "inchiKey": "JZRWCGZRTZMZEH-UHFFFAOYSA-N",
    "iupacName": "2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol",
    "molecularFormula": "C12H17N4OS+",
    "molecularWeight": 265.36,
    "name": "thiamine",
    "pubchemUrl": "https://pubchem.ncbi.nlm.nih.gov/compound/1130",
    "rotatableBonds": 4,
    "smiles": null,
    "xLogP": 1
  }
}

Appears in 1 collection

nih/pubchem-compounds1 version · Jun 12, 2026
v1.0.0

Full hash:f97f42c0983d324b9562b8a71b49926b69227c4b4624576a01172fe190f3ddd2