[(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

C19H20N6O2S — CID 136582634

IUPAC[(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)cnn1-c1ccccn1
InChIInChI=1S/C19H20N6O2S/c1-13-10-23(7-8-24(13)19(27)16-11-28-12-21-16)18(26)15-9-22-25(14(15)2)17-5-3-4-6-20-17/h3-6,9,11-13H,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyJFYSHEINROTEQH-ZDUSSCGKSA-N
MW396.48 g/mol
LogP2.02
Rot. Bonds3

About [(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

[(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 136582634) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is [(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID136582634
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name[(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)cnn1-c1ccccn1
InChIInChI=1S/C19H20N6O2S/c1-13-10-23(7-8-24(13)19(27)16-11-28-12-21-16)18(26)15-9-22-25(14(15)2)17-5-3-4-6-20-17/h3-6,9,11-13H,7-8,10H2,1-2H3/t13-/m0/s1
InChIKeyJFYSHEINROTEQH-ZDUSSCGKSA-N
XLogP2.02
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 97066486
(8aR)-7-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126441579
(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 119042010
[(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146092459
[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126893336
[(3aR,6aS)-2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,3-thiazol-4-yl)methanone
CID 97386153
1-[(2R)-2-phenyl-4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 124976976
(5-methyl-1-pyridin-2-ylpyrazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 126442055
[(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136582472
[(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146108957
[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 122569864
(4-aminophenyl)-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 89180119

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 136582634) is [(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1c(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)cnn1-c1ccccn1.
What is the InChIKey of [(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is JFYSHEINROTEQH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-13-10-23(7-8-24(13)19(27)16-11-28-12-21-16)18(26)15-9-22-25(14(15)2)17-5-3-4-6-20-17/h3-6,9,11-13H,7-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of [(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 396.48 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 136582634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).