(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone

C15H22N2O2S — CID 111470063

IUPAC(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1nc(C2CCCC2)sc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C15H22N2O2S/c1-10-13(15(19)17-8-4-7-12(18)9-17)20-14(16-10)11-5-2-3-6-11/h11-12,18H,2-9H2,1H3
InChIKeySUMBTYKHKIPUNB-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.71
Rot. Bonds2

About (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone

(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 111470063) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID111470063
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESCc1nc(C2CCCC2)sc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C15H22N2O2S/c1-10-13(15(19)17-8-4-7-12(18)9-17)20-14(16-10)11-5-2-3-6-11/h11-12,18H,2-9H2,1H3
InChIKeySUMBTYKHKIPUNB-UHFFFAOYSA-N
XLogP2.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119486828
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613261
(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110694309
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94896080
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
6-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175023
(4-hydroxy-3-methylpiperidin-1-yl)-[4-methyl-2-(oxan-3-yl)-1,3-thiazol-5-yl]methanone
CID 128523099
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
2-[[(2S)-4-(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129346778
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone
CID 126776097
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 126776733
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(2-methylpiperazin-1-yl)methanone
CID 119473197

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone (CID 111470063) is (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone is Cc1nc(C2CCCC2)sc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is SUMBTYKHKIPUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-13(15(19)17-8-4-7-12(18)9-17)20-14(16-10)11-5-2-3-6-11/h11-12,18H,2-9H2,1H3.
What are the key properties of (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone?
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 294.42 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 111470063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).