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

C16H9Cl2NOS — CID 1482558

IUPAC(2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccc2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl2NOS/c17-11-6-7-12(13(18)8-11)15(20)14-9-19-16(21-14)10-4-2-1-3-5-10/h1-9H
InChIKeyQGNOPHAJQCWQFJ-UHFFFAOYSA-N
MW334.23 g/mol
LogP5.35
Rot. Bonds3

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

(2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone (PubChem CID 1482558) has the molecular formula C16H9Cl2NOS and a molecular weight of 334.23 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone
PubChem CID1482558
Molecular FormulaC16H9Cl2NOS
Molecular Weight334.23 g/mol
Exact Mass332.98
IUPAC Name(2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccc2)s1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl2NOS/c17-11-6-7-12(13(18)8-11)15(20)14-9-19-16(21-14)10-4-2-1-3-5-10/h1-9H
InChIKeyQGNOPHAJQCWQFJ-UHFFFAOYSA-N
XLogP5.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.23
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone (CID 1482558) is (2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone is O=C(c1cnc(-c2ccccc2)s1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone?
The InChIKey is QGNOPHAJQCWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NOS/c17-11-6-7-12(13(18)8-11)15(20)14-9-19-16(21-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of (2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone?
(2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 334.23 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2-phenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 1482558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).