[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

C16H16N6OS — CID 95569194

IUPAC[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCn1cc([C@@H]2CCCN2C(=O)c2csc(-c3cnccn3)n2)cn1
InChIInChI=1S/C16H16N6OS/c1-21-9-11(7-19-21)14-3-2-6-22(14)16(23)13-10-24-15(20-13)12-8-17-4-5-18-12/h4-5,7-10,14H,2-3,6H2,1H3/t14-/m0/s1
InChIKeyKREMZIFLSWGJIL-AWEZNQCLSA-N
MW340.41 g/mol
LogP2.31
Rot. Bonds3

About [(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 95569194) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is [(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID95569194
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESCn1cc([C@@H]2CCCN2C(=O)c2csc(-c3cnccn3)n2)cn1
InChIInChI=1S/C16H16N6OS/c1-21-9-11(7-19-21)14-3-2-6-22(14)16(23)13-10-24-15(20-13)12-8-17-4-5-18-12/h4-5,7-10,14H,2-3,6H2,1H3/t14-/m0/s1
InChIKeyKREMZIFLSWGJIL-AWEZNQCLSA-N
XLogP2.31
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-1-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120537472
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569150
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-pyridin-4-yl-1,2-oxazol-3-yl)methanone
CID 126774607
[3-(methylamino)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 119489708
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
(5-methyl-1H-pyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824930
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86888139
(2-pyrazolo[1,5-a]pyrimidin-3-yl-1,3-thiazol-4-yl)-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 167179453
(3,5-dimethyl-2-pyridinyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136521822
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 99816463

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (CID 95569194) is [(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is Cn1cc([C@@H]2CCCN2C(=O)c2csc(-c3cnccn3)n2)cn1.
What is the InChIKey of [(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is KREMZIFLSWGJIL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-21-9-11(7-19-21)14-3-2-6-22(14)16(23)13-10-24-15(20-13)12-8-17-4-5-18-12/h4-5,7-10,14H,2-3,6H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 340.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95569194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).