[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

C14H16N4OS — CID 125018357

IUPAC[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cnc([C@H]2CCCN(C(=O)c3cnccn3)C2)s1
InChIInChI=1S/C14H16N4OS/c1-10-7-17-13(20-10)11-3-2-6-18(9-11)14(19)12-8-15-4-5-16-12/h4-5,7-8,11H,2-3,6,9H2,1H3/t11-/m0/s1
InChIKeyXOFOORUZNOERGT-NSHDSACASA-N
MW288.38 g/mol
LogP2.26
Rot. Bonds2

About [(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 125018357) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is [(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID125018357
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cnc([C@H]2CCCN(C(=O)c3cnccn3)C2)s1
InChIInChI=1S/C14H16N4OS/c1-10-7-17-13(20-10)11-3-2-6-18(9-11)14(19)12-8-15-4-5-16-12/h4-5,7-8,11H,2-3,6,9H2,1H3/t11-/m0/s1
InChIKeyXOFOORUZNOERGT-NSHDSACASA-N
XLogP2.26
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone 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-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
(5-tert-butyl-1H-pyrazol-3-yl)-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124946318
[3-[5-(2-fluorophenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 90491137
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
6-methyl-3-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125021912
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125009546
[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 110106873
N-[4-[3-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 166409129
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 124949880
(1-methylindol-3-yl)-[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125026162

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 125018357) is [(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is Cc1cnc([C@H]2CCCN(C(=O)c3cnccn3)C2)s1.
What is the InChIKey of [(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is XOFOORUZNOERGT-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-7-17-13(20-10)11-3-2-6-18(9-11)14(19)12-8-15-4-5-16-12/h4-5,7-8,11H,2-3,6,9H2,1H3/t11-/m0/s1.
What are the key properties of [(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
[(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 288.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 125018357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).