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

C25H30ClN5O3S — CID 142089249

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

N-(4-acetylcyclohexyl)-5-chloro-1H-indole-2-carboxamide;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 142089249) has the molecular formula C25H30ClN5O3S and a molecular weight of 516.07 g/mol. Its IUPAC name is N-(4-acetylcyclohexyl)-5-chloro-1H-indole-2-carboxamide;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-acetylcyclohexyl)-5-chloro-1H-indole-2-carboxamide;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 142089249
• Molecular Formula: C25H30ClN5O3S
• Molecular Weight: 516.07 g/mol
• Exact Mass: 515.18
• IUPAC Name: N-(4-acetylcyclohexyl)-5-chloro-1H-indole-2-carboxamide;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CC(=O)C1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.CN1CCc2nc(C(N)=O)sc2C1
• InChI: InChI=1S/C17H19ClN2O2.C8H11N3OS/c1-10(21)11-2-5-14(6-3-11)19-17(22)16-9-12-8-13(18)4-7-15(12)20-16;1-11-3-2-5-6(4-11)13-8(10-5)7(9)12/h4,7-9,11,14,20H,2-3,5-6H2,1H3,(H,19,22);2-4H2,1H3,(H2,9,12)
• InChIKey: BRSJNEDCMPHYTA-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 121.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.07
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(4-acetylcyclohexyl)-5-chloro-1H-indole-2-carboxamide;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 142089249) is N-(4-acetylcyclohexyl)-5-chloro-1H-indole-2-carboxamide;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

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

The canonical SMILES for N-(4-acetylcyclohexyl)-5-chloro-1H-indole-2-carboxamide;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CC(=O)C1CCC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.CN1CCc2nc(C(N)=O)sc2C1.

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

The InChIKey is BRSJNEDCMPHYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2.C8H11N3OS/c1-10(21)11-2-5-14(6-3-11)19-17(22)16-9-12-8-13(18)4-7-15(12)20-16;1-11-3-2-5-6(4-11)13-8(10-5)7(9)12/h4,7-9,11,14,20H,2-3,5-6H2,1H3,(H,19,22);2-4H2,1H3,(H2,9,12).

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

N-(4-acetylcyclohexyl)-5-chloro-1H-indole-2-carboxamide;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 516.07 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetylcyclohexyl)-5-chloro-1H-indole-2-carboxamide;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 142089249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).