(2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C15H20N4OS — CID 95762407

IUPAC(2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1csc([C@@H]2CCCCN2C(=O)[C@H](C)n2ccnc2)n1
InChIInChI=1S/C15H20N4OS/c1-11-9-21-14(17-11)13-5-3-4-7-19(13)15(20)12(2)18-8-6-16-10-18/h6,8-10,12-13H,3-5,7H2,1-2H3/t12-,13-/m0/s1
InChIKeyUHICRAYPFCZKMY-STQMWFEESA-N
MW304.42 g/mol
LogP2.96
Rot. Bonds3

About (2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

(2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 95762407) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID95762407
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1csc([C@@H]2CCCCN2C(=O)[C@H](C)n2ccnc2)n1
InChIInChI=1S/C15H20N4OS/c1-11-9-21-14(17-11)13-5-3-4-7-19(13)15(20)12(2)18-8-6-16-10-18/h6,8-10,12-13H,3-5,7H2,1-2H3/t12-,13-/m0/s1
InChIKeyUHICRAYPFCZKMY-STQMWFEESA-N
XLogP2.96
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 95767630
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 56819392
(5-methylfuran-2-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762285
2-[(2R)-1-[(2R)-2-imidazol-1-ylpropanoyl]pyrrolidin-2-yl]-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98061886
[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95762443
2-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 167816908
(2R)-1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 94035597
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
(1-methylpyrrol-2-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768314
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762416
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95762464
2-[cyclopropyl(methyl)amino]-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95780512

Frequently Asked Questions

What is the IUPAC name of (2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 95762407) is (2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is Cc1csc([C@@H]2CCCCN2C(=O)[C@H](C)n2ccnc2)n1.
What is the InChIKey of (2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is UHICRAYPFCZKMY-STQMWFEESA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11-9-21-14(17-11)13-5-3-4-7-19(13)15(20)12(2)18-8-6-16-10-18/h6,8-10,12-13H,3-5,7H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
(2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 304.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-imidazol-1-yl-1-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95762407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).