4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide

C17H13ClN2OS — CID 71528575

IUPAC4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2OS/c1-20-15(12-5-3-2-4-6-12)11-22-17(20)19-16(21)13-7-9-14(18)10-8-13/h2-11H,1H3/b19-17-
InChIKeyPHLUOFZBPMCIRS-ZPHPHTNESA-N
MW328.82 g/mol
LogP4.15
Rot. Bonds2

About 4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide

4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 71528575) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is 4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID71528575
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC Name4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2OS/c1-20-15(12-5-3-2-4-6-12)11-22-17(20)19-16(21)13-7-9-14(18)10-8-13/h2-11H,1H3/b19-17-
InChIKeyPHLUOFZBPMCIRS-ZPHPHTNESA-N
XLogP4.15
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide (CID 71528575) is 4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide is Cn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is PHLUOFZBPMCIRS-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H13ClN2OS/c1-20-15(12-5-3-2-4-6-12)11-22-17(20)19-16(21)13-7-9-14(18)10-8-13/h2-11H,1H3/b19-17-.
What are the key properties of 4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide?
4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 328.82 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 71528575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).