[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone

C20H20N4OS — CID 99696644

IUPAC[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCCC[C@H]1CCc2ccccc2N1C(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C20H20N4OS/c1-2-6-15-10-9-14-7-3-4-8-17(14)24(15)20(25)16-13-26-19(23-16)18-21-11-5-12-22-18/h3-5,7-8,11-13,15H,2,6,9-10H2,1H3/t15-/m0/s1
InChIKeyILRMSHYXIPJBBK-HNNXBMFYSA-N
MW364.47 g/mol
LogP4.36
Rot. Bonds4

About [(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone

[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 99696644) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is [(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID99696644
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCCC[C@H]1CCc2ccccc2N1C(=O)c1csc(-c2ncccn2)n1
InChIInChI=1S/C20H20N4OS/c1-2-6-15-10-9-14-7-3-4-8-17(14)24(15)20(25)16-13-26-19(23-16)18-21-11-5-12-22-18/h3-5,7-8,11-13,15H,2,6,9-10H2,1H3/t15-/m0/s1
InChIKeyILRMSHYXIPJBBK-HNNXBMFYSA-N
XLogP4.36
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-3,4-dihydro-2H-quinolin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 51729214
(5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 97027443
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 95603823
3-[(3R)-1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124702033
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 94589806
methyl 1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-2,3-dihydroindole-5-carboxylate
CID 55871361
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124588883
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone
CID 58924946
1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 126789127
1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one
CID 136540659
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124689404
N-cyclopropyl-N-(4-ethylcyclohexyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 51121155

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone (CID 99696644) is [(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone is CCC[C@H]1CCc2ccccc2N1C(=O)c1csc(-c2ncccn2)n1.
What is the InChIKey of [(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is ILRMSHYXIPJBBK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-2-6-15-10-9-14-7-3-4-8-17(14)24(15)20(25)16-13-26-19(23-16)18-21-11-5-12-22-18/h3-5,7-8,11-13,15H,2,6,9-10H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 364.47 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 99696644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).