[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C13H16N4OS — CID 95824408

IUPAC[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cn[nH]c1[C@@H]1CCCN1C(=O)c1scnc1C
InChIInChI=1S/C13H16N4OS/c1-8-6-15-16-11(8)10-4-3-5-17(10)13(18)12-9(2)14-7-19-12/h6-7,10H,3-5H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyUJLMRYNJVSPJEC-JTQLQIEISA-N
MW276.36 g/mol
LogP2.46
Rot. Bonds2

About [(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 95824408) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is [(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID95824408
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cn[nH]c1[C@@H]1CCCN1C(=O)c1scnc1C
InChIInChI=1S/C13H16N4OS/c1-8-6-15-16-11(8)10-4-3-5-17(10)13(18)12-9(2)14-7-19-12/h6-7,10H,3-5H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyUJLMRYNJVSPJEC-JTQLQIEISA-N
XLogP2.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 127247379
[(2R)-2-methylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 145068291
(1-methylpyrazol-3-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824417
(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824584
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110270767
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124968176
[1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175131
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124961599
[2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110110793
[(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124972218
1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95824362
[(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95838530

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 95824408) is [(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1cn[nH]c1[C@@H]1CCCN1C(=O)c1scnc1C.
What is the InChIKey of [(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is UJLMRYNJVSPJEC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-6-15-16-11(8)10-4-3-5-17(10)13(18)12-9(2)14-7-19-12/h6-7,10H,3-5H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of [(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 276.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 95824408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).