(4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone

C16H10ClNOS — CID 2798577

IUPAC(4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H10ClNOS/c17-13-8-6-11(7-9-13)15(19)14-10-18-16(20-14)12-4-2-1-3-5-12/h1-10H
InChIKeyZAZDOXUWFOXDEZ-UHFFFAOYSA-N
MW299.78 g/mol
LogP4.69
Rot. Bonds3

About (4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone

(4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone (PubChem CID 2798577) has the molecular formula C16H10ClNOS and a molecular weight of 299.78 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone
PubChem CID2798577
Molecular FormulaC16H10ClNOS
Molecular Weight299.78 g/mol
Exact Mass299.02
IUPAC Name(4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H10ClNOS/c17-13-8-6-11(7-9-13)15(19)14-10-18-16(20-14)12-4-2-1-3-5-12/h1-10H
InChIKeyZAZDOXUWFOXDEZ-UHFFFAOYSA-N
XLogP4.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone (CID 2798577) is (4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone is O=C(c1ccc(Cl)cc1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of (4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone?
The InChIKey is ZAZDOXUWFOXDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNOS/c17-13-8-6-11(7-9-13)15(19)14-10-18-16(20-14)12-4-2-1-3-5-12/h1-10H.
What are the key properties of (4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone?
(4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 299.78 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 2798577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).