4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C21H19Cl2N3OS — CID 71111600

About 4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 71111600) has the molecular formula C21H19Cl2N3OS and a molecular weight of 432.38 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 71111600
• Molecular Formula: C21H19Cl2N3OS
• Molecular Weight: 432.38 g/mol
• Exact Mass: 431.06
• IUPAC Name: 4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• SMILES: CC(Cc1ccc(Cl)cc1)N(C(=O)c1sc(-c2cccnc2)nc1Cl)C1CC1
• InChI: InChI=1S/C21H19Cl2N3OS/c1-13(11-14-4-6-16(22)7-5-14)26(17-8-9-17)21(27)18-19(23)25-20(28-18)15-3-2-10-24-12-15/h2-7,10,12-13,17H,8-9,11H2,1H3
• InChIKey: GCYPJLCEZSTLDW-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 46.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.38
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 71111600) is 4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is CC(Cc1ccc(Cl)cc1)N(C(=O)c1sc(-c2cccnc2)nc1Cl)C1CC1.

What is the InChIKey of 4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The InChIKey is GCYPJLCEZSTLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3OS/c1-13(11-14-4-6-16(22)7-5-14)26(17-8-9-17)21(27)18-19(23)25-20(28-18)15-3-2-10-24-12-15/h2-7,10,12-13,17H,8-9,11H2,1H3.

What are the key properties of 4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 432.38 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[1-(4-chlorophenyl)propan-2-yl]-N-cyclopropyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71111600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).