[2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol

C5H7NO2S — CID 10130026

IUPAC[2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(CO)s1
InChIInChI=1S/C5H7NO2S/c7-2-4-1-6-5(3-8)9-4/h1,7-8H,2-3H2
InChIKeyCZTWZUYZDZRVJJ-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.13
Rot. Bonds2

About [2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol

[2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 10130026) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is [2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID10130026
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name[2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(CO)s1
InChIInChI=1S/C5H7NO2S/c7-2-4-1-6-5(3-8)9-4/h1,7-8H,2-3H2
InChIKeyCZTWZUYZDZRVJJ-UHFFFAOYSA-N
XLogP0.13
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol (CID 10130026) is [2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol is OCc1cnc(CO)s1.
What is the InChIKey of [2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is CZTWZUYZDZRVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c7-2-4-1-6-5(3-8)9-4/h1,7-8H,2-3H2.
What are the key properties of [2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol?
[2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 145.18 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 10130026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).