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

C10H9NOS — CID 698895

IUPAC(4-phenyl-1,3-thiazol-2-yl)methanol
SMILESOCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C10H9NOS/c12-6-10-11-9(7-13-10)8-4-2-1-3-5-8/h1-5,7,12H,6H2
InChIKeyTYUWZKSJURGPRJ-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.30
Rot. Bonds2

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

(4-phenyl-1,3-thiazol-2-yl)methanol (PubChem CID 698895) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is (4-phenyl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(4-phenyl-1,3-thiazol-2-yl)methanol
PubChem CID698895
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name(4-phenyl-1,3-thiazol-2-yl)methanol
SMILESOCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C10H9NOS/c12-6-10-11-9(7-13-10)8-4-2-1-3-5-8/h1-5,7,12H,6H2
InChIKeyTYUWZKSJURGPRJ-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-(2-Fluorophenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482068
4-Phenyl-2-thiazoleethanamine
CID 1497794
2-(2-Phenyl-1,3-thiazol-4-yl)acetonitrile
CID 223844
4-(Chloromethyl)-2-phenyl-1,3-thiazole
CID 236969
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
2-Chloro-4-phenylthiazole
CID 2761359
4-(Hydroxymethyl)-2-phenyl-1,3-thiazole
CID 2776473
(Z)-4-chloro-3-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)but-2-enenitrile
CID 135458240
2-Cyclopentylidene-2-(4-phenyl-1,3-thiazol-2-yl)acetonitrile
CID 713364
2-(4-Phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
4-(2,4-Dimethylphenyl)-2-methyl-1,3-thiazole
CID 2798044

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-1,3-thiazol-2-yl)methanol?
The IUPAC name of (4-phenyl-1,3-thiazol-2-yl)methanol (CID 698895) is (4-phenyl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (4-phenyl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (4-phenyl-1,3-thiazol-2-yl)methanol is OCc1nc(-c2ccccc2)cs1.
What is the InChIKey of (4-phenyl-1,3-thiazol-2-yl)methanol?
The InChIKey is TYUWZKSJURGPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-6-10-11-9(7-13-10)8-4-2-1-3-5-8/h1-5,7,12H,6H2.
What are the key properties of (4-phenyl-1,3-thiazol-2-yl)methanol?
(4-phenyl-1,3-thiazol-2-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 (4-phenyl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 698895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).