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

C24H25ClN8O2S2 — CID 25029693

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

N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 25029693) has the molecular formula C24H25ClN8O2S2 and a molecular weight of 557.11 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 25029693
• Molecular Formula: C24H25ClN8O2S2
• Molecular Weight: 557.11 g/mol
• Exact Mass: 556.12
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3cccs3)nc(N3CCN(CCO)CC3)n2)s1
• InChI: InChI=1S/C24H25ClN8O2S2/c1-15-4-2-5-16(25)19(15)27-21(35)18-14-26-24(37-18)31-22-28-20(17-6-3-13-36-17)29-23(30-22)33-9-7-32(8-10-33)11-12-34/h2-6,13-14,34H,7-12H2,1H3,(H,27,35)(H,26,28,29,30,31)
• InChIKey: DNFPHTNFTNIRTO-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 119.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.11
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide (CID 25029693) is N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2nc(-c3cccs3)nc(N3CCN(CCO)CC3)n2)s1.

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

The InChIKey is DNFPHTNFTNIRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN8O2S2/c1-15-4-2-5-16(25)19(15)27-21(35)18-14-26-24(37-18)31-22-28-20(17-6-3-13-36-17)29-23(30-22)33-9-7-32(8-10-33)11-12-34/h2-6,13-14,34H,7-12H2,1H3,(H,27,35)(H,26,28,29,30,31).

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

N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 557.11 g/mol, XLogP of 4.13, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[4-[4-(2-hydroxyethyl)piperazin-1-yl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25029693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).