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

C28H36Cl2N6O4S — CID 77218810

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

N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-[2-methoxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (PubChem CID 77218810) has the molecular formula C28H36Cl2N6O4S and a molecular weight of 623.61 g/mol. Its IUPAC name is N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-[2-methoxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-[2-methoxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
• PubChem CID: 77218810
• Molecular Formula: C28H36Cl2N6O4S
• Molecular Weight: 623.61 g/mol
• Exact Mass: 622.19
• IUPAC Name: N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-[2-methoxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
• SMILES: COCCN(C)C(=O)C1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)C(NC(=O)c2nc3c(s2)CN(C)CC3)C1.Cl
• InChI: InChI=1S/C28H35ClN6O4S.ClH/c1-34-9-8-21-24(15-34)40-27(33-21)26(37)32-22-13-16(28(38)35(2)10-11-39-3)4-6-20(22)31-25(36)23-14-17-12-18(29)5-7-19(17)30-23;/h5,7,12,14,16,20,22,30H,4,6,8-11,13,15H2,1-3H3,(H,31,36)(H,32,37);1H
• InChIKey: VGPOWWHBNMBMKE-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 119.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	623.61
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-[2-methoxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (CID 77218810) is N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-[2-methoxyethyl(methyl)carbamoyl]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-[(5-chloro-1H-indole-2-carbonyl)amino]-5-[2-methoxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?

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

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

The InChIKey is VGPOWWHBNMBMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN6O4S.ClH/c1-34-9-8-21-24(15-34)40-27(33-21)26(37)32-22-13-16(28(38)35(2)10-11-39-3)4-6-20(22)31-25(36)23-14-17-12-18(29)5-7-19(17)30-23;/h5,7,12,14,16,20,22,30H,4,6,8-11,13,15H2,1-3H3,(H,31,36)(H,32,37);1H.

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

N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-[2-methoxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride has a molecular weight of 623.61 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5-chloro-1H-indole-2-carbonyl)amino]-5-[2-methoxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 77218810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).