N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide

C27H33F3N4O2S — CID 171424520

IUPACN-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC(CC1CCCCC1)C(=O)NC1CC1)c1cnc(CN2CCCc3ccc(C(F)(F)F)cc32)s1
InChIInChI=1S/C27H33F3N4O2S/c28-27(29,30)19-9-8-18-7-4-12-34(22(18)14-19)16-24-31-15-23(37-24)26(36)33-21(25(35)32-20-10-11-20)13-17-5-2-1-3-6-17/h8-9,14-15,17,20-21H,1-7,10-13,16H2,(H,32,35)(H,33,36)
InChIKeySSGKKVWRHKWHNZ-UHFFFAOYSA-N
MW534.65 g/mol
LogP5.46
Rot. Bonds8

About N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide

N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 171424520) has the molecular formula C27H33F3N4O2S and a molecular weight of 534.65 g/mol. Its IUPAC name is N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID171424520
Molecular FormulaC27H33F3N4O2S
Molecular Weight534.65 g/mol
Exact Mass534.23
IUPAC NameN-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NC(CC1CCCCC1)C(=O)NC1CC1)c1cnc(CN2CCCc3ccc(C(F)(F)F)cc32)s1
InChIInChI=1S/C27H33F3N4O2S/c28-27(29,30)19-9-8-18-7-4-12-34(22(18)14-19)16-24-31-15-23(37-24)26(36)33-21(25(35)32-20-10-11-20)13-17-5-2-1-3-6-17/h8-9,14-15,17,20-21H,1-7,10-13,16H2,(H,32,35)(H,33,36)
InChIKeySSGKKVWRHKWHNZ-UHFFFAOYSA-N
XLogP5.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.65
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

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
2-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[(2S)-3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-1,3-thiazole-5-carboxamide
CID 171424402
5-[(1S)-1-(7-chloro-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171902504
5-[1-[[5-chloro-2-(trifluoromethyl)-3-pyridinyl]amino]ethyl]-N-[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 171424576
5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]-N-[(2S)-3-cyclopentyl-1-[(3,3-difluorocyclobutyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 178158087
5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]-N-[(2S)-3-cyclopentyl-1-(oxetan-3-ylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 178158107
[[(2S)-2-[[5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carbonyl]amino]-3-cyclopentylpropanoyl]amino] hypofluorite
CID 178158211
5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]-N-[(2S)-3-cyclopentyl-1-(methylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 178158222
5-chloro-3-[[(1S)-1-[5-[[(2S)-3-cyclopentyl-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamoyl]thiophen-2-yl]ethyl]amino]pyridine-2-carboxamide
CID 171902484
N-(1-amino-3-cyclopentyl-1-oxopropan-2-yl)-5-[(7-bromo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methyl]thiophene-2-carboxamide;cyclopropane
CID 178158046
2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N-cyclopentylacetamide
CID 62265154
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[4-phenyl-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]phenyl]methylsulfanyl]propanoic acid
CID 90995084

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide (CID 171424520) is N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide is O=C(NC(CC1CCCCC1)C(=O)NC1CC1)c1cnc(CN2CCCc3ccc(C(F)(F)F)cc32)s1.
What is the InChIKey of N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SSGKKVWRHKWHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3N4O2S/c28-27(29,30)19-9-8-18-7-4-12-34(22(18)14-19)16-24-31-15-23(37-24)26(36)33-21(25(35)32-20-10-11-20)13-17-5-2-1-3-6-17/h8-9,14-15,17,20-21H,1-7,10-13,16H2,(H,32,35)(H,33,36).
What are the key properties of N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide?
N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 534.65 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclohexyl-1-(cyclopropylamino)-1-oxopropan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 171424520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).