[(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone

C18H22N4OS — CID 94637457

IUPAC[(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@H]1C1CCCC1
InChIInChI=1S/C18H22N4OS/c1-12-15(24-17(21-12)16-19-9-5-10-20-16)18(23)22-11-4-8-14(22)13-6-2-3-7-13/h5,9-10,13-14H,2-4,6-8,11H2,1H3/t14-/m0/s1
InChIKeyANNKZUCAQPKOQJ-AWEZNQCLSA-N
MW342.47 g/mol
LogP3.70
Rot. Bonds3

About [(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone

[(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 94637457) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is [(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID94637457
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name[(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@H]1C1CCCC1
InChIInChI=1S/C18H22N4OS/c1-12-15(24-17(21-12)16-19-9-5-10-20-16)18(23)22-11-4-8-14(22)13-6-2-3-7-13/h5,9-10,13-14H,2-4,6-8,11H2,1H3/t14-/m0/s1
InChIKeyANNKZUCAQPKOQJ-AWEZNQCLSA-N
XLogP3.70
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 47065787
[(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
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137895
(2-methylpiperazin-1-yl)-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 119473571
(3-amino-2-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 104742142
2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177890
[2-(1-methylpyrrolidin-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methanone
CID 56802649
[(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
CID 94612280
(3S,4S)-4-methyl-1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952421
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 119625359
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone
CID 134022945
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone (CID 94637457) is [(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@H]1C1CCCC1.
What is the InChIKey of [(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is ANNKZUCAQPKOQJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-12-15(24-17(21-12)16-19-9-5-10-20-16)18(23)22-11-4-8-14(22)13-6-2-3-7-13/h5,9-10,13-14H,2-4,6-8,11H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone?
[(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 342.47 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 94637457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).