N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C25H29ClN6O3S — CID 152755282

About N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 152755282) has the molecular formula C25H29ClN6O3S and a molecular weight of 529.07 g/mol. Its IUPAC name is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 152755282
• Molecular Formula: C25H29ClN6O3S
• Molecular Weight: 529.07 g/mol
• Exact Mass: 528.17
• IUPAC Name: N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CNC(=O)C1CCC(NC(=O)c2nc3c(s2)CN(C)CC3)C(N)(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1
• InChI: InChI=1S/C25H29ClN6O3S/c1-28-22(34)13-3-6-20(31-23(35)24-30-17-7-8-32(2)12-19(17)36-24)25(27,11-13)21(33)18-10-14-9-15(26)4-5-16(14)29-18/h4-5,9-10,13,20,29H,3,6-8,11-12,27H2,1-2H3,(H,28,34)(H,31,35)
• InChIKey: DKVFCRVXOMDFCA-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 133.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.07
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 152755282) is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CNC(=O)C1CCC(NC(=O)c2nc3c(s2)CN(C)CC3)C(N)(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1.

What is the InChIKey of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The InChIKey is DKVFCRVXOMDFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O3S/c1-28-22(34)13-3-6-20(31-23(35)24-30-17-7-8-32(2)12-19(17)36-24)25(27,11-13)21(33)18-10-14-9-15(26)4-5-16(14)29-18/h4-5,9-10,13,20,29H,3,6-8,11-12,27H2,1-2H3,(H,28,34)(H,31,35).

What are the key properties of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 529.07 g/mol, XLogP of 2.49, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(methylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 152755282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).