[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol

C5H7NO2S — CID 71467179

IUPAC[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1ncsc1CO
InChIInChI=1S/C5H7NO2S/c7-1-4-5(2-8)9-3-6-4/h3,7-8H,1-2H2
InChIKeyPNPJTRKDLZMFBQ-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.13
Rot. Bonds2

About [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol

[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol (PubChem CID 71467179) has the molecular formula C5H7NO2S and a molecular weight of 145.18 g/mol. Its IUPAC name is [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol
PubChem CID71467179
Molecular FormulaC5H7NO2S
Molecular Weight145.18 g/mol
Exact Mass145.02
IUPAC Name[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol
SMILESOCc1ncsc1CO
InChIInChI=1S/C5H7NO2S/c7-1-4-5(2-8)9-3-6-4/h3,7-8H,1-2H2
InChIKeyPNPJTRKDLZMFBQ-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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Related Compounds

[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride
CID 137332786
[5-(4-chlorophenyl)-1,3-thiazol-4-yl]methanol
CID 170459033
methyl 2-[5-(2-hydroxyethyl)-1,3-thiazol-4-yl]acetate
CID 20846330
[5-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 170459018
4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole
CID 142089231
[5-[4-(piperidin-1-ylmethyl)phenyl]-1,3-thiazol-4-yl]methanol
CID 136572670
[4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 82503234
N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114368513
2-[5-(2-bromoethyl)-1,3-thiazol-4-yl]acetic acid
CID 174616560
3-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzoic acid
CID 18613280
2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid
CID 82068989
[5-[(E)-2-tritylsulfanylethenyl]-1,3-thiazol-4-yl]methanol
CID 68601369

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol (CID 71467179) is [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol is OCc1ncsc1CO.
What is the InChIKey of [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol?
The InChIKey is PNPJTRKDLZMFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S/c7-1-4-5(2-8)9-3-6-4/h3,7-8H,1-2H2.
What are the key properties of [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol?
[5-(hydroxymethyl)-1,3-thiazol-4-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 [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 71467179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).