1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone

C17H12ClNOS — CID 628655

IUPAC1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C17H12ClNOS/c1-11(20)12-2-4-14(5-3-12)17-19-16(10-21-17)13-6-8-15(18)9-7-13/h2-10H,1H3
InChIKeyQHCBSMQSDSYKDR-UHFFFAOYSA-N
MW313.81 g/mol
LogP5.33
Rot. Bonds3

About 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone

1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone (PubChem CID 628655) has the molecular formula C17H12ClNOS and a molecular weight of 313.81 g/mol. Its IUPAC name is 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone
PubChem CID628655
Molecular FormulaC17H12ClNOS
Molecular Weight313.81 g/mol
Exact Mass313.03
IUPAC Name1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C17H12ClNOS/c1-11(20)12-2-4-14(5-3-12)17-19-16(10-21-17)13-6-8-15(18)9-7-13/h2-10H,1H3
InChIKeyQHCBSMQSDSYKDR-UHFFFAOYSA-N
XLogP5.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.81
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone (CID 628655) is 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone is CC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone?
The InChIKey is QHCBSMQSDSYKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNOS/c1-11(20)12-2-4-14(5-3-12)17-19-16(10-21-17)13-6-8-15(18)9-7-13/h2-10H,1H3.
What are the key properties of 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone?
1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone has a molecular weight of 313.81 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenyl]ethanone is sourced from PubChem (CID 628655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).