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

C5H8ClNO2S — CID 137332786

IUPAC[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride
SMILESCl.OCc1ncsc1CO
InChIInChI=1S/C5H7NO2S.ClH/c7-1-4-5(2-8)9-3-6-4;/h3,7-8H,1-2H2;1H
InChIKeyNBMKOZFOWQGORO-UHFFFAOYSA-N
MW181.64 g/mol
LogP0.55
Rot. Bonds2

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

[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride (PubChem CID 137332786) has the molecular formula C5H8ClNO2S and a molecular weight of 181.64 g/mol. Its IUPAC name is [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride
PubChem CID137332786
Molecular FormulaC5H8ClNO2S
Molecular Weight181.64 g/mol
Exact Mass181.00
IUPAC Name[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride
SMILESCl.OCc1ncsc1CO
InChIInChI=1S/C5H7NO2S.ClH/c7-1-4-5(2-8)9-3-6-4;/h3,7-8H,1-2H2;1H
InChIKeyNBMKOZFOWQGORO-UHFFFAOYSA-N
XLogP0.55
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.64
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol
CID 71467179
[5-(4-chlorophenyl)-1,3-thiazol-4-yl]methanol
CID 170459033
[5-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 170459018
methyl 2-[5-(2-hydroxyethyl)-1,3-thiazol-4-yl]acetate
CID 20846330
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
[5-[(E)-2-tritylsulfanylethenyl]-1,3-thiazol-4-yl]methanol
CID 68601369
2-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-4-yl]acetic acid
CID 82068989

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride?
The IUPAC name of [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride (CID 137332786) is [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride.
What is the SMILES notation for [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride?
The canonical SMILES for [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride is Cl.OCc1ncsc1CO.
What is the InChIKey of [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride?
The InChIKey is NBMKOZFOWQGORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S.ClH/c7-1-4-5(2-8)9-3-6-4;/h3,7-8H,1-2H2;1H.
What are the key properties of [5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride?
[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride has a molecular weight of 181.64 g/mol, XLogP of 0.55, 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;hydrochloride is sourced from PubChem (CID 137332786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).