1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone

C18H15ClN2OS — CID 2302408

IUPAC1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone
SMILESCc1cs/c(=N\c2ccccc2)n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2OS/c1-13-12-23-18(20-16-5-3-2-4-6-16)21(13)11-17(22)14-7-9-15(19)10-8-14/h2-10,12H,11H2,1H3/b20-18-
InChIKeyLMBBJDOHLODFSC-ZZEZOPTASA-N
MW342.85 g/mol
LogP4.63
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone

1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone (PubChem CID 2302408) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone
PubChem CID2302408
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone
SMILESCc1cs/c(=N\c2ccccc2)n1CC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN2OS/c1-13-12-23-18(20-16-5-3-2-4-6-16)21(13)11-17(22)14-7-9-15(19)10-8-14/h2-10,12H,11H2,1H3/b20-18-
InChIKeyLMBBJDOHLODFSC-ZZEZOPTASA-N
XLogP4.63
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone (CID 2302408) is 1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone is Cc1cs/c(=N\c2ccccc2)n1CC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone?
The InChIKey is LMBBJDOHLODFSC-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H15ClN2OS/c1-13-12-23-18(20-16-5-3-2-4-6-16)21(13)11-17(22)14-7-9-15(19)10-8-14/h2-10,12H,11H2,1H3/b20-18-.
What are the key properties of 1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone?
1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone has a molecular weight of 342.85 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 2302408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).