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

C15H20N4OS — CID 95762416

IUPAC(1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1csc([C@@H]2CCCCN2C(=O)c2cc(C)n(C)n2)n1
InChIInChI=1S/C15H20N4OS/c1-10-9-21-14(16-10)13-6-4-5-7-19(13)15(20)12-8-11(2)18(3)17-12/h8-9,13H,4-7H2,1-3H3/t13-/m0/s1
InChIKeyBVRHVFBYTLCYPH-ZDUSSCGKSA-N
MW304.42 g/mol
LogP2.86
Rot. Bonds2

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

(1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95762416) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID95762416
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1csc([C@@H]2CCCCN2C(=O)c2cc(C)n(C)n2)n1
InChIInChI=1S/C15H20N4OS/c1-10-9-21-14(16-10)13-6-4-5-7-19(13)15(20)12-8-11(2)18(3)17-12/h8-9,13H,4-7H2,1-3H3/t13-/m0/s1
InChIKeyBVRHVFBYTLCYPH-ZDUSSCGKSA-N
XLogP2.86
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762332
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
6-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-propylpyridazin-3-one
CID 95739273
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95313911
(1-methylpyrrol-2-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768314
(5-methylfuran-2-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762285
2-methyl-6-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 95762363
2,3-dihydrofuran-4-yl-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768479
5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119126423
[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95762306
2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide
CID 68671050
[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95762443

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 95762416) is (1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1csc([C@@H]2CCCCN2C(=O)c2cc(C)n(C)n2)n1.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is BVRHVFBYTLCYPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-9-21-14(16-10)13-6-4-5-7-19(13)15(20)12-8-11(2)18(3)17-12/h8-9,13H,4-7H2,1-3H3/t13-/m0/s1.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 304.42 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95762416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).