[5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol

C11H11NO2S — CID 13435383

IUPAC[5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol
SMILESOCc1nc(-c2ccccc2)sc1CO
InChIInChI=1S/C11H11NO2S/c13-6-9-10(7-14)15-11(12-9)8-4-2-1-3-5-8/h1-5,13-14H,6-7H2
InChIKeySNJYFRCBTMLPFD-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.79
Rot. Bonds3

About [5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol

[5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol (PubChem CID 13435383) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol
PubChem CID13435383
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name[5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol
SMILESOCc1nc(-c2ccccc2)sc1CO
InChIInChI=1S/C11H11NO2S/c13-6-9-10(7-14)15-11(12-9)8-4-2-1-3-5-8/h1-5,13-14H,6-7H2
InChIKeySNJYFRCBTMLPFD-UHFFFAOYSA-N
XLogP1.79
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methanol
CID 82428598
5-ethyl-2-phenyl-1,3-thiazol-4-ol
CID 13484654
[2-(4-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441217
2-[5-methyl-2-(4-phenylphenyl)-1,3-thiazol-4-yl]ethanol
CID 22633505
4-benzyl-2,5-diphenyl-1,3-thiazole
CID 46862429
3-(2-phenyl-4-propyl-1,3-thiazol-5-yl)propanoic acid
CID 82431422
[5-(hydroxymethyl)-3,4-diphenylthiophen-2-yl]methanol
CID 13177160
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
(2-amino-5-phenyl-1,3-thiazol-4-yl)methanol
CID 133061184
5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
CID 28709890
2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid
CID 19800550
[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441267

Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol?
The IUPAC name of [5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol (CID 13435383) is [5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol is OCc1nc(-c2ccccc2)sc1CO.
What is the InChIKey of [5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol?
The InChIKey is SNJYFRCBTMLPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c13-6-9-10(7-14)15-11(12-9)8-4-2-1-3-5-8/h1-5,13-14H,6-7H2.
What are the key properties of [5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol?
[5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol has a molecular weight of 221.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethyl)-2-phenyl-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 13435383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).