N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C19H13ClN4OS2 — CID 8927668

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 8927668) has the molecular formula C19H13ClN4OS2 and a molecular weight of 412.93 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 8927668
• Molecular Formula: C19H13ClN4OS2
• Molecular Weight: 412.93 g/mol
• Exact Mass: 412.02
• IUPAC Name: N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
• InChI: InChI=1S/C19H13ClN4OS2/c1-11-16(27-18(22-11)14-4-2-3-9-21-14)17(25)24-19-23-15(10-26-19)12-5-7-13(20)8-6-12/h2-10H,1H3,(H,23,24,25)
• InChIKey: KNHDWUYSZXCELM-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.93
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 8927668) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.

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

The InChIKey is KNHDWUYSZXCELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4OS2/c1-11-16(27-18(22-11)14-4-2-3-9-21-14)17(25)24-19-23-15(10-26-19)12-5-7-13(20)8-6-12/h2-10H,1H3,(H,23,24,25).

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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 412.93 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 8927668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).