N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide

C21H19ClN6O2S — CID 74763948

About N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide (PubChem CID 74763948) has the molecular formula C21H19ClN6O2S and a molecular weight of 454.94 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide
• PubChem CID: 74763948
• Molecular Formula: C21H19ClN6O2S
• Molecular Weight: 454.94 g/mol
• Exact Mass: 454.10
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)Nc2ccc3c(C)n(C)nc3c2)s1
• InChI: InChI=1S/C21H19ClN6O2S/c1-11-5-4-6-15(22)18(11)25-19(29)17-10-23-21(31-17)26-20(30)24-13-7-8-14-12(2)28(3)27-16(14)9-13/h4-10H,1-3H3,(H,25,29)(H2,23,24,26,30)
• InChIKey: YYPIMCKKRGYDJJ-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 100.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.94
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide (CID 74763948) is N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)Nc2ccc3c(C)n(C)nc3c2)s1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide?

The InChIKey is YYPIMCKKRGYDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2S/c1-11-5-4-6-15(22)18(11)25-19(29)17-10-23-21(31-17)26-20(30)24-13-7-8-14-12(2)28(3)27-16(14)9-13/h4-10H,1-3H3,(H,25,29)(H2,23,24,26,30).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide has a molecular weight of 454.94 g/mol, XLogP of 5.20, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[(2,3-dimethylindazol-6-yl)carbamoylamino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 74763948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).