2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

C25H18Cl3N9O2S2 — CID 59600389

About 2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 59600389) has the molecular formula C25H18Cl3N9O2S2 and a molecular weight of 646.97 g/mol. Its IUPAC name is 2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
• PubChem CID: 59600389
• Molecular Formula: C25H18Cl3N9O2S2
• Molecular Weight: 646.97 g/mol
• Exact Mass: 645.01
• IUPAC Name: 2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
• SMILES: Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(Cl)nc(Nc3cnc(C(=O)Nc4c(C)cccc4Cl)s3)n2)s1
• InChI: InChI=1S/C25H18Cl3N9O2S2/c1-11-5-3-7-13(26)17(11)32-19(38)15-9-30-25(40-15)37-24-35-22(28)34-23(36-24)31-16-10-29-21(41-16)20(39)33-18-12(2)6-4-8-14(18)27/h3-10H,1-2H3,(H,32,38)(H,33,39)(H2,30,31,34,35,36,37)
• InChIKey: JHGRNCYOAFMTFL-UHFFFAOYSA-N
• XLogP: 7.35
• TPSA: 146.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	646.97
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide (CID 59600389) is 2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(Cl)nc(Nc3cnc(C(=O)Nc4c(C)cccc4Cl)s3)n2)s1.

What is the InChIKey of 2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide?

The InChIKey is JHGRNCYOAFMTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl3N9O2S2/c1-11-5-3-7-13(26)17(11)32-19(38)15-9-30-25(40-15)37-24-35-22(28)34-23(36-24)31-16-10-29-21(41-16)20(39)33-18-12(2)6-4-8-14(18)27/h3-10H,1-2H3,(H,32,38)(H,33,39)(H2,30,31,34,35,36,37).

What are the key properties of 2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide?

2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 646.97 g/mol, XLogP of 7.35, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59600389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).