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

C15H20N4OS — CID 124961599

IUPAC[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2scnc2C)C1
InChIInChI=1S/C15H20N4OS/c1-10-7-17-18-13(10)6-12-4-3-5-19(8-12)15(20)14-11(2)16-9-21-14/h7,9,12H,3-6,8H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyHCTJGIBSKRBYJO-LBPRGKRZSA-N
MW304.42 g/mol
LogP2.58
Rot. Bonds3

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

[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 124961599) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID124961599
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2scnc2C)C1
InChIInChI=1S/C15H20N4OS/c1-10-7-17-18-13(10)6-12-4-3-5-19(8-12)15(20)14-11(2)16-9-21-14/h7,9,12H,3-6,8H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKeyHCTJGIBSKRBYJO-LBPRGKRZSA-N
XLogP2.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-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

[3-(hydroxymethyl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 43589511
(5-methylpyrazin-2-yl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106565
(5-methylpyrazin-2-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124970869
2-cyclopropyl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125011292
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 125002143
isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106635
(1-ethylpyrazol-4-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124955870
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124992904
1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 125015096
2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 125023698
1-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124995402
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95845547

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 124961599) is [(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2scnc2C)C1.
What is the InChIKey of [(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is HCTJGIBSKRBYJO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-7-17-18-13(10)6-12-4-3-5-19(8-12)15(20)14-11(2)16-9-21-14/h7,9,12H,3-6,8H2,1-2H3,(H,17,18)/t12-/m0/s1.
What are the key properties of [(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 304.42 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124961599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).