N-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide

C23H29N3O2S — CID 46960350

IUPACN-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1
InChIInChI=1S/C23H29N3O2S/c1-15(2)21(27)25(3)23-24-19(14-29-23)17-10-11-20-18(13-17)9-6-12-26(20)22(28)16-7-4-5-8-16/h10-11,13-16H,4-9,12H2,1-3H3
InChIKeyVJGWCBOKMFMSGB-UHFFFAOYSA-N
MW411.57 g/mol
LogP4.90
Rot. Bonds4

About N-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide

N-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide (PubChem CID 46960350) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide
PubChem CID46960350
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC NameN-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1
InChIInChI=1S/C23H29N3O2S/c1-15(2)21(27)25(3)23-24-19(14-29-23)17-10-11-20-18(13-17)9-6-12-26(20)22(28)16-7-4-5-8-16/h10-11,13-16H,4-9,12H2,1-3H3
InChIKeyVJGWCBOKMFMSGB-UHFFFAOYSA-N
XLogP4.90
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylbutanamide
CID 51593685
2-cyclopentyl-N-methyl-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide
CID 95856017
N-methyl-2-(3-methylphenyl)-N-[4-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]acetamide
CID 46953045
N-[4-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 46950967
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
1-[1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737681
3,5-dimethoxy-N-methyl-N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 53377425
(5R)-5-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindole-1-carbonyl]piperidin-2-one
CID 94181117
cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 1438647
3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one
CID 18270362
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylcyclohexanecarboxamide
CID 1175967
1-[5-(2-anilino-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 1438641

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide?
The IUPAC name of N-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide (CID 46960350) is N-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1.
What is the InChIKey of N-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide?
The InChIKey is VJGWCBOKMFMSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-15(2)21(27)25(3)23-24-19(14-29-23)17-10-11-20-18(13-17)9-6-12-26(20)22(28)16-7-4-5-8-16/h10-11,13-16H,4-9,12H2,1-3H3.
What are the key properties of N-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide?
N-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide has a molecular weight of 411.57 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-1,3-thiazol-2-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 46960350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).