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

C26H32Cl2N6O3S — CID 66785428

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

N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (PubChem CID 66785428) has the molecular formula C26H32Cl2N6O3S and a molecular weight of 579.55 g/mol. Its IUPAC name is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
• PubChem CID: 66785428
• Molecular Formula: C26H32Cl2N6O3S
• Molecular Weight: 579.55 g/mol
• Exact Mass: 578.16
• IUPAC Name: N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
• SMILES: CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CCC3(N)C(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl
• InChI: InChI=1S/C26H31ClN6O3S.ClH/c1-32(2)25(36)14-6-8-26(28,22(34)19-11-15-10-16(27)4-5-17(15)29-19)21(12-14)31-23(35)24-30-18-7-9-33(3)13-20(18)37-24;/h4-5,10-11,14,21,29H,6-9,12-13,28H2,1-3H3,(H,31,35);1H
• InChIKey: OFKPXUHDYLNCPC-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 124.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	579.55
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (CID 66785428) is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

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

The canonical SMILES for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CCC3(N)C(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl.

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

The InChIKey is OFKPXUHDYLNCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN6O3S.ClH/c1-32(2)25(36)14-6-8-26(28,22(34)19-11-15-10-16(27)4-5-17(15)29-19)21(12-14)31-23(35)24-30-18-7-9-33(3)13-20(18)37-24;/h4-5,10-11,14,21,29H,6-9,12-13,28H2,1-3H3,(H,31,35);1H.

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

N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride has a molecular weight of 579.55 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 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)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 66785428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).