(2-phenyl-1,3-thiazol-4-yl)methanol

C10H9NOS — CID 2776473

IUPAC(2-phenyl-1,3-thiazol-4-yl)methanol
SMILESOCc1csc(-c2ccccc2)n1
InChIInChI=1S/C10H9NOS/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,7,12H,6H2
InChIKeyHNFDKPSDOQRBBX-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.30
Rot. Bonds2

About (2-phenyl-1,3-thiazol-4-yl)methanol

(2-phenyl-1,3-thiazol-4-yl)methanol (PubChem CID 2776473) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methanol
PubChem CID2776473
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methanol
SMILESOCc1csc(-c2ccccc2)n1
InChIInChI=1S/C10H9NOS/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,7,12H,6H2
InChIKeyHNFDKPSDOQRBBX-UHFFFAOYSA-N
XLogP2.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
2-(4-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-Phenyl-4-carboxythiazole
CID 138928
2-(4-Fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 4962882
2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
CID 223844
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
(4-Phenyl-1,3-thiazol-2-yl)methanol
CID 698895
(4-Phenyl-1,3-thiazol-2-yl)acetonitrile
CID 704539
(4-Methyl-2-phenyl-thiazol-5-yl)-methanol
CID 736541
4-Phenylthiazole-2-carboxylic acid
CID 3878539
[2-(2-Thienyl)-1,3-thiazol-4-YL]methanol
CID 2776319
(4-Fluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methanol
CID 46943788

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methanol?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methanol (CID 2776473) is (2-phenyl-1,3-thiazol-4-yl)methanol.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methanol?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methanol is OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methanol?
The InChIKey is HNFDKPSDOQRBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-6-9-7-13-10(11-9)8-4-2-1-3-5-8/h1-5,7,12H,6H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methanol?
(2-phenyl-1,3-thiazol-4-yl)methanol has a molecular weight of 191.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 2776473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).