N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide

C18H14ClN3OS — CID 9175195

IUPACN-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H14ClN3OS/c1-12-2-4-13(5-3-12)17(23)22-20-10-16-11-24-18(21-16)14-6-8-15(19)9-7-14/h2-11H,1H3,(H,22,23)/b20-10-
InChIKeyBBMWVBLDUFTNQN-JMIUGGIZSA-N
MW355.85 g/mol
LogP4.54
Rot. Bonds4

About N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide

N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide (PubChem CID 9175195) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
PubChem CID9175195
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC NameN-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
SMILESCc1ccc(C(=O)N/N=C\c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C18H14ClN3OS/c1-12-2-4-13(5-3-12)17(23)22-20-10-16-11-24-18(21-16)14-6-8-15(19)9-7-14/h2-11H,1H3,(H,22,23)/b20-10-
InChIKeyBBMWVBLDUFTNQN-JMIUGGIZSA-N
XLogP4.54
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 8518693
N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315889
N-[(Z)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-chlorobenzamide
CID 9060219
4-tert-butyl-N-[(Z)-(2-methyl-1,3-thiazol-4-yl)methylideneamino]benzamide
CID 9466150
N-[(Z)-[2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175216
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
4-chloro-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135688213
2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 2115215
2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 126196378
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(Z)-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126036762

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide (CID 9175195) is N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide is Cc1ccc(C(=O)N/N=C\c2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide?
The InChIKey is BBMWVBLDUFTNQN-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c1-12-2-4-13(5-3-12)17(23)22-20-10-16-11-24-18(21-16)14-6-8-15(19)9-7-14/h2-11H,1H3,(H,22,23)/b20-10-.
What are the key properties of N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide?
N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide has a molecular weight of 355.85 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide is sourced from PubChem (CID 9175195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).