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

C27H33ClN6O4S — CID 66786644

About N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-[2-hydroxyethyl(methyl)carbamoyl]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)-5-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 66786644) has the molecular formula C27H33ClN6O4S and a molecular weight of 573.12 g/mol. Its IUPAC name is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-[2-hydroxyethyl(methyl)carbamoyl]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)-5-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 66786644
• Molecular Formula: C27H33ClN6O4S
• Molecular Weight: 573.12 g/mol
• Exact Mass: 572.20
• IUPAC Name: N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)CCO)CCC3(N)C(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1
• InChI: InChI=1S/C27H33ClN6O4S/c1-33-8-6-19-21(14-33)39-25(31-19)24(37)32-22-13-15(26(38)34(2)9-10-35)5-7-27(22,29)23(36)20-12-16-11-17(28)3-4-18(16)30-20/h3-4,11-12,15,22,30,35H,5-10,13-14,29H2,1-2H3,(H,32,37)
• InChIKey: JYCUJWGGIASMDD-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 144.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.12
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-[2-hydroxyethyl(methyl)carbamoyl]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)-5-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 66786644) is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-[2-hydroxyethyl(methyl)carbamoyl]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)-5-[2-hydroxyethyl(methyl)carbamoyl]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)-5-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)CCO)CCC3(N)C(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.

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

The InChIKey is JYCUJWGGIASMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN6O4S/c1-33-8-6-19-21(14-33)39-25(31-19)24(37)32-22-13-15(26(38)34(2)9-10-35)5-7-27(22,29)23(36)20-12-16-11-17(28)3-4-18(16)30-20/h3-4,11-12,15,22,30,35H,5-10,13-14,29H2,1-2H3,(H,32,37).

What are the key properties of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-[2-hydroxyethyl(methyl)carbamoyl]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)-5-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 573.12 g/mol, XLogP of 2.20, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-5-[2-hydroxyethyl(methyl)carbamoyl]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 66786644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).