(3-methyl-1,2-thiazol-5-yl)-phenylmethanol

C11H11NOS — CID 91620842

IUPAC(3-methyl-1,2-thiazol-5-yl)-phenylmethanol
SMILESCc1cc(C(O)c2ccccc2)sn1
InChIInChI=1S/C11H11NOS/c1-8-7-10(14-12-8)11(13)9-5-3-2-4-6-9/h2-7,11,13H,1H3
InChIKeyAVQDKTPFMZLMPU-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.53
Rot. Bonds2

About (3-methyl-1,2-thiazol-5-yl)-phenylmethanol

(3-methyl-1,2-thiazol-5-yl)-phenylmethanol (PubChem CID 91620842) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is (3-methyl-1,2-thiazol-5-yl)-phenylmethanol.

Molecular Properties

Compound Name(3-methyl-1,2-thiazol-5-yl)-phenylmethanol
PubChem CID91620842
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name(3-methyl-1,2-thiazol-5-yl)-phenylmethanol
SMILESCc1cc(C(O)c2ccccc2)sn1
InChIInChI=1S/C11H11NOS/c1-8-7-10(14-12-8)11(13)9-5-3-2-4-6-9/h2-7,11,13H,1H3
InChIKeyAVQDKTPFMZLMPU-UHFFFAOYSA-N
XLogP2.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094110
[5-(Hydroxymethyl)-3-phenyl-1,2-thiazol-4-yl]methanol
CID 13435381
(2-Fluoro-5-iodophenyl)-(1,2-thiazol-5-yl)methanol
CID 58221419
[3-(4-Trifluoromethyl-phenyl)-isothiazol-5-yl]-methanol
CID 59212200
2-(3-(4-Fluorophenyl)isothiazol-5-yl)propan-2-ol
CID 68328241
[5-(2-Fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol
CID 90418044
(3-(4-Ethylphenyl)-5-(trifluoromethyl)isothiazol-4-yl)methanol
CID 90418304
[5-(1,1-Difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol
CID 90418631
[3-Ethyl-5-(2-fluoro-4-methylphenyl)-1,2-thiazol-4-yl]methanol
CID 90418726
[3-(4-Methylphenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
CID 123568357
(2-Fluoro-5-methylphenyl)-(1,2-thiazol-5-yl)methanol
CID 143918348
1-[4-[5-(Trifluoromethyl)-1,2-thiazol-3-yl]phenyl]ethanol
CID 152078970

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-thiazol-5-yl)-phenylmethanol?
The IUPAC name of (3-methyl-1,2-thiazol-5-yl)-phenylmethanol (CID 91620842) is (3-methyl-1,2-thiazol-5-yl)-phenylmethanol.
What is the SMILES notation for (3-methyl-1,2-thiazol-5-yl)-phenylmethanol?
The canonical SMILES for (3-methyl-1,2-thiazol-5-yl)-phenylmethanol is Cc1cc(C(O)c2ccccc2)sn1.
What is the InChIKey of (3-methyl-1,2-thiazol-5-yl)-phenylmethanol?
The InChIKey is AVQDKTPFMZLMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-8-7-10(14-12-8)11(13)9-5-3-2-4-6-9/h2-7,11,13H,1H3.
What are the key properties of (3-methyl-1,2-thiazol-5-yl)-phenylmethanol?
(3-methyl-1,2-thiazol-5-yl)-phenylmethanol has a molecular weight of 205.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-thiazol-5-yl)-phenylmethanol is sourced from PubChem (CID 91620842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).