N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide

C17H13ClN2OS — CID 832888

IUPACN-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide
SMILESCc1cs/c(=N\C(=O)c2ccccc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2OS/c1-12-11-22-17(19-16(21)13-5-3-2-4-6-13)20(12)15-9-7-14(18)8-10-15/h2-11H,1H3/b19-17-
InChIKeyGWXSKTHINUJHAE-ZPHPHTNESA-N
MW328.82 g/mol
LogP4.24
Rot. Bonds2

About N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide

N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide (PubChem CID 832888) has the molecular formula C17H13ClN2OS and a molecular weight of 328.82 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide
PubChem CID832888
Molecular FormulaC17H13ClN2OS
Molecular Weight328.82 g/mol
Exact Mass328.04
IUPAC NameN-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide
SMILESCc1cs/c(=N\C(=O)c2ccccc2)n1-c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2OS/c1-12-11-22-17(19-16(21)13-5-3-2-4-6-13)20(12)15-9-7-14(18)8-10-15/h2-11H,1H3/b19-17-
InChIKeyGWXSKTHINUJHAE-ZPHPHTNESA-N
XLogP4.24
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 ≤ 54.24
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 N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide (CID 832888) is N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide is Cc1cs/c(=N\C(=O)c2ccccc2)n1-c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is GWXSKTHINUJHAE-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H13ClN2OS/c1-12-11-22-17(19-16(21)13-5-3-2-4-6-13)20(12)15-9-7-14(18)8-10-15/h2-11H,1H3/b19-17-.
What are the key properties of N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide?
N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 328.82 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 832888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).