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

C27H33ClN6O3S — CID 152720436

About N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(propan-2-ylcarbamoyl)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-(propan-2-ylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 152720436) has the molecular formula C27H33ClN6O3S and a molecular weight of 557.12 g/mol. Its IUPAC name is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(propan-2-ylcarbamoyl)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-(propan-2-ylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 152720436
• Molecular Formula: C27H33ClN6O3S
• Molecular Weight: 557.12 g/mol
• Exact Mass: 556.20
• IUPAC Name: N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(propan-2-ylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CC(C)NC(=O)C1CCC(NC(=O)c2nc3c(s2)CN(C)CC3)C(N)(C(=O)c2cc3cc(Cl)ccc3[nH]2)C1
• InChI: InChI=1S/C27H33ClN6O3S/c1-14(2)30-24(36)15-4-7-22(33-25(37)26-32-19-8-9-34(3)13-21(19)38-26)27(29,12-15)23(35)20-11-16-10-17(28)5-6-18(16)31-20/h5-6,10-11,14-15,22,31H,4,7-9,12-13,29H2,1-3H3,(H,30,36)(H,33,37)
• InChIKey: ZVMXUDVPEGVCFY-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 133.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.12
LogP ≤ 5	3.27
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-(propan-2-ylcarbamoyl)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-(propan-2-ylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 152720436) is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(propan-2-ylcarbamoyl)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-(propan-2-ylcarbamoyl)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-(propan-2-ylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CC(C)NC(=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-(propan-2-ylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The InChIKey is ZVMXUDVPEGVCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClN6O3S/c1-14(2)30-24(36)15-4-7-22(33-25(37)26-32-19-8-9-34(3)13-21(19)38-26)27(29,12-15)23(35)20-11-16-10-17(28)5-6-18(16)31-20/h5-6,10-11,14-15,22,31H,4,7-9,12-13,29H2,1-3H3,(H,30,36)(H,33,37).

What are the key properties of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)-4-(propan-2-ylcarbamoyl)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-(propan-2-ylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 557.12 g/mol, XLogP of 3.27, 6 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-(propan-2-ylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 152720436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).