[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone

C16H16N6OS — CID 95603823

IUPAC[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ncccn2)n1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C16H16N6OS/c23-16(13-11-24-15(20-13)14-17-5-2-6-18-14)22-9-1-4-12(22)10-21-8-3-7-19-21/h2-3,5-8,11-12H,1,4,9-10H2/t12-/m1/s1
InChIKeyBOEZGPYNEIWASG-GFCCVEGCSA-N
MW340.41 g/mol
LogP2.10
Rot. Bonds4

About [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone

[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 95603823) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID95603823
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ncccn2)n1)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C16H16N6OS/c23-16(13-11-24-15(20-13)14-17-5-2-6-18-14)22-9-1-4-12(22)10-21-8-3-7-19-21/h2-3,5-8,11-12H,1,4,9-10H2/t12-/m1/s1
InChIKeyBOEZGPYNEIWASG-GFCCVEGCSA-N
XLogP2.10
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603816
[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone
CID 56778945
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 94589806
(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95327696
1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 126789127
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602579
(2-piperidin-1-yl-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603771
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95323101
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[4-(pyrrol-1-ylmethyl)phenyl]methanone
CID 95323660

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone (CID 95603823) is [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ncccn2)n1)N1CCC[C@@H]1Cn1cccn1.
What is the InChIKey of [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is BOEZGPYNEIWASG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-16(13-11-24-15(20-13)14-17-5-2-6-18-14)22-9-1-4-12(22)10-21-8-3-7-19-21/h2-3,5-8,11-12H,1,4,9-10H2/t12-/m1/s1.
What are the key properties of [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone?
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 340.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95603823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).