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

C15H17N3OS — CID 95824375

IUPAC[(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccc([C@H]2CCCN(C(=O)c3cscn3)C2)nc1
InChIInChI=1S/C15H17N3OS/c1-11-4-5-13(16-7-11)12-3-2-6-18(8-12)15(19)14-9-20-10-17-14/h4-5,7,9-10,12H,2-3,6,8H2,1H3/t12-/m0/s1
InChIKeyGFGZUENBDQQIPW-LBPRGKRZSA-N
MW287.39 g/mol
LogP2.87
Rot. Bonds2

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

[(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 95824375) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is [(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID95824375
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name[(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1ccc([C@H]2CCCN(C(=O)c3cscn3)C2)nc1
InChIInChI=1S/C15H17N3OS/c1-11-4-5-13(16-7-11)12-3-2-6-18(8-12)15(19)14-9-20-10-17-14/h4-5,7,9-10,12H,2-3,6,8H2,1H3/t12-/m0/s1
InChIKeyGFGZUENBDQQIPW-LBPRGKRZSA-N
XLogP2.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012156
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012155
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95824398
1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 63023722
2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136816696
[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95845523
[(3R)-3-(5-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95856127
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110258855
(3R)-N-methyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 95828809

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 95824375) is [(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1ccc([C@H]2CCCN(C(=O)c3cscn3)C2)nc1.
What is the InChIKey of [(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is GFGZUENBDQQIPW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-4-5-13(16-7-11)12-3-2-6-18(8-12)15(19)14-9-20-10-17-14/h4-5,7,9-10,12H,2-3,6,8H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 287.39 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95824375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).