N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide

C26H31F3N4O2S — CID 171424507

About N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide

N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 171424507) has the molecular formula C26H31F3N4O2S and a molecular weight of 520.62 g/mol. Its IUPAC name is N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 171424507
• Molecular Formula: C26H31F3N4O2S
• Molecular Weight: 520.62 g/mol
• Exact Mass: 520.21
• IUPAC Name: N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide
• SMILES: O=C(N[C@@H](CC1CCCCC1)C(=O)NC1CC1)c1cnc(CN2CCc3ccc(C(F)(F)F)cc32)s1
• InChI: InChI=1S/C26H31F3N4O2S/c27-26(28,29)18-7-6-17-10-11-33(21(17)13-18)15-23-30-14-22(36-23)25(35)32-20(24(34)31-19-8-9-19)12-16-4-2-1-3-5-16/h6-7,13-14,16,19-20H,1-5,8-12,15H2,(H,31,34)(H,32,35)/t20-/m0/s1
• InChIKey: ZBIVHQUCNLURPH-FQEVSTJZSA-N
• XLogP: 5.07
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.62
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide (CID 171424507) is N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide is O=C(N[C@@H](CC1CCCCC1)C(=O)NC1CC1)c1cnc(CN2CCc3ccc(C(F)(F)F)cc32)s1.

What is the InChIKey of N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide?

The InChIKey is ZBIVHQUCNLURPH-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H31F3N4O2S/c27-26(28,29)18-7-6-17-10-11-33(21(17)13-18)15-23-30-14-22(36-23)25(35)32-20(24(34)31-19-8-9-19)12-16-4-2-1-3-5-16/h6-7,13-14,16,19-20H,1-5,8-12,15H2,(H,31,34)(H,32,35)/t20-/m0/s1.

What are the key properties of N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide?

N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 520.62 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[6-(trifluoromethyl)-2,3-dihydroindol-1-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 171424507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).