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

C13H16N4OS — CID 95327696

IUPAC(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C13H16N4OS/c1-10-12(19-9-14-10)13(18)17-7-2-4-11(17)8-16-6-3-5-15-16/h3,5-6,9,11H,2,4,7-8H2,1H3/t11-/m0/s1
InChIKeyZJKLACVIVZELCD-NSHDSACASA-N
MW276.36 g/mol
LogP1.95
Rot. Bonds3

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

(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 95327696) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID95327696
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C13H16N4OS/c1-10-12(19-9-14-10)13(18)17-7-2-4-11(17)8-16-6-3-5-15-16/h3,5-6,9,11H,2,4,7-8H2,1H3/t11-/m0/s1
InChIKeyZJKLACVIVZELCD-NSHDSACASA-N
XLogP1.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-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

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 95327696) is (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is Cc1ncsc1C(=O)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZJKLACVIVZELCD-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4OS/c1-10-12(19-9-14-10)13(18)17-7-2-4-11(17)8-16-6-3-5-15-16/h3,5-6,9,11H,2,4,7-8H2,1H3/t11-/m0/s1.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 276.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95327696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).