(2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide

C17H10Cl2N4S — CID 6534550

IUPAC(2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
SMILESN#C/C(=N/Nc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H10Cl2N4S/c18-12-6-7-14(13(19)8-12)22-23-15(9-20)17-21-16(10-24-17)11-4-2-1-3-5-11/h1-8,10,22H/b23-15-
InChIKeyRYWXHNIDRPYMFF-HAHDFKILSA-N
MW373.27 g/mol
LogP5.46
Rot. Bonds4

About (2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide

(2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide (PubChem CID 6534550) has the molecular formula C17H10Cl2N4S and a molecular weight of 373.27 g/mol. Its IUPAC name is (2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide.

Molecular Properties

Compound Name(2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
PubChem CID6534550
Molecular FormulaC17H10Cl2N4S
Molecular Weight373.27 g/mol
Exact Mass372.00
IUPAC Name(2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
SMILESN#C/C(=N/Nc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H10Cl2N4S/c18-12-6-7-14(13(19)8-12)22-23-15(9-20)17-21-16(10-24-17)11-4-2-1-3-5-11/h1-8,10,22H/b23-15-
InChIKeyRYWXHNIDRPYMFF-HAHDFKILSA-N
XLogP5.46
TPSA61.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.27
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)-N-(2,4-dichloroanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 2753911
(2E)-4-(4-chlorophenyl)-N-(2-fluoroanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6257271
N-(4-chloroanilino)-4-naphthalen-2-yl-1,3-thiazole-2-carboximidoyl cyanide
CID 3528200
N-(2,3-dimethylanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide
CID 3638579
N-anilino-4-(4-methylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 5200858
(2E)-N-(4-fluoroanilino)-4-(4-phenylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 6391708
(2Z)-4-(4-chlorophenyl)-N-(2,4,6-trimethylanilino)-1,3-thiazole-2-carboximidoyl cyanide
CID 6527042
N-(4-chloroanilino)-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 3753846
(2E)-N-(2,4-dimethylanilino)-4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 6259590
(2E)-N-[2-chloro-5-(trifluoromethyl)anilino]-4-(4-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 16815423
(2Z)-N-[2-chloro-5-(trifluoromethyl)anilino]-4-(3-nitrophenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 41056993
N-(5-chloro-2-methoxyanilino)-4-(2,4-dimethylphenyl)-1,3-thiazole-2-carboximidoyl cyanide
CID 4068304

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide?
The IUPAC name of (2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide (CID 6534550) is (2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide.
What is the SMILES notation for (2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide?
The canonical SMILES for (2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide is N#C/C(=N/Nc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1.
What is the InChIKey of (2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide?
The InChIKey is RYWXHNIDRPYMFF-HAHDFKILSA-N. The full InChI is InChI=1S/C17H10Cl2N4S/c18-12-6-7-14(13(19)8-12)22-23-15(9-20)17-21-16(10-24-17)11-4-2-1-3-5-11/h1-8,10,22H/b23-15-.
What are the key properties of (2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide?
(2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide has a molecular weight of 373.27 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(2,4-dichloroanilino)-4-phenyl-1,3-thiazole-2-carboximidoyl cyanide is sourced from PubChem (CID 6534550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).