(3-chlorophenyl)-(1,2-thiazol-5-yl)methanol

C10H8ClNOS — CID 130794593

IUPAC(3-chlorophenyl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1cccc(Cl)c1)c1ccns1
InChIInChI=1S/C10H8ClNOS/c11-8-3-1-2-7(6-8)10(13)9-4-5-12-14-9/h1-6,10,13H
InChIKeyNQXXGAWZDMCJRQ-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.88
Rot. Bonds2

About (3-chlorophenyl)-(1,2-thiazol-5-yl)methanol

(3-chlorophenyl)-(1,2-thiazol-5-yl)methanol (PubChem CID 130794593) has the molecular formula C10H8ClNOS and a molecular weight of 225.70 g/mol. Its IUPAC name is (3-chlorophenyl)-(1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(1,2-thiazol-5-yl)methanol
PubChem CID130794593
Molecular FormulaC10H8ClNOS
Molecular Weight225.70 g/mol
Exact Mass225.00
IUPAC Name(3-chlorophenyl)-(1,2-thiazol-5-yl)methanol
SMILESOC(c1cccc(Cl)c1)c1ccns1
InChIInChI=1S/C10H8ClNOS/c11-8-3-1-2-7(6-8)10(13)9-4-5-12-14-9/h1-6,10,13H
InChIKeyNQXXGAWZDMCJRQ-UHFFFAOYSA-N
XLogP2.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bis-(4-chloro-phenyl)-isothiazol-5-yl-methanol
CID 4204275
(2-Fluoro-5-iodophenyl)-(1,2-thiazol-5-yl)methanol
CID 58221419
(2-Fluoro-5-methylphenyl)-(1,2-thiazol-5-yl)methanol
CID 143918348
1-[3-(4-Chlorophenyl)-1,2-thiazol-5-yl]ethanol
CID 44603813
(4-Chlorophenyl)-(1,2-thiazol-5-yl)methanol
CID 119087694
(4-Methylphenyl)-(1,2-thiazol-5-yl)methanol
CID 119094111
(4-Propan-2-ylphenyl)-(1,2-thiazol-5-yl)methanol
CID 134975462
(4-Fluorophenyl)(isothiazol-5-yl)methanol
CID 45158862
(S)-(4-fluorophenyl)-(1,2-thiazol-5-yl)methanol
CID 51900820
(R)-(4-fluorophenyl)-(1,2-thiazol-5-yl)methanol
CID 51900821
(3-Fluorophenyl)-(1,2-thiazol-5-yl)methanol
CID 130826091
(4-Chlorophenyl)-phenyl-(1,2-thiazol-5-yl)methanol
CID 4417072

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1,2-thiazol-5-yl)methanol?
The IUPAC name of (3-chlorophenyl)-(1,2-thiazol-5-yl)methanol (CID 130794593) is (3-chlorophenyl)-(1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(1,2-thiazol-5-yl)methanol?
The canonical SMILES for (3-chlorophenyl)-(1,2-thiazol-5-yl)methanol is OC(c1cccc(Cl)c1)c1ccns1.
What is the InChIKey of (3-chlorophenyl)-(1,2-thiazol-5-yl)methanol?
The InChIKey is NQXXGAWZDMCJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNOS/c11-8-3-1-2-7(6-8)10(13)9-4-5-12-14-9/h1-6,10,13H.
What are the key properties of (3-chlorophenyl)-(1,2-thiazol-5-yl)methanol?
(3-chlorophenyl)-(1,2-thiazol-5-yl)methanol has a molecular weight of 225.70 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 130794593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).