3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one

C16H19N3OS — CID 96574369

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
SMILESCc1ncsc1CCC(=O)N1CCC[C@@H]1c1cccnc1
InChIInChI=1S/C16H19N3OS/c1-12-15(21-11-18-12)6-7-16(20)19-9-3-5-14(19)13-4-2-8-17-10-13/h2,4,8,10-11,14H,3,5-7,9H2,1H3/t14-/m1/s1
InChIKeyVFDVHNFKCFOZLU-CQSZACIVSA-N
MW301.42 g/mol
LogP3.14
Rot. Bonds4

About 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one

3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one (PubChem CID 96574369) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
PubChem CID96574369
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
SMILESCc1ncsc1CCC(=O)N1CCC[C@@H]1c1cccnc1
InChIInChI=1S/C16H19N3OS/c1-12-15(21-11-18-12)6-7-16(20)19-9-3-5-14(19)13-4-2-8-17-10-13/h2,4,8,10-11,14H,3,5-7,9H2,1H3/t14-/m1/s1
InChIKeyVFDVHNFKCFOZLU-CQSZACIVSA-N
XLogP3.14
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 136543289
1-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 96578697
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propan-1-one
CID 124835282
3-(4-methyl-1,3-thiazol-5-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 78082382
3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 70756366
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 136547554
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
3-(2-aminophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120613570
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
2,2-dimethyl-4-oxo-4-(2-pyridin-3-ylpyrrolidin-1-yl)butanoic acid
CID 65302628

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one (CID 96574369) is 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one is Cc1ncsc1CCC(=O)N1CCC[C@@H]1c1cccnc1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one?
The InChIKey is VFDVHNFKCFOZLU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-12-15(21-11-18-12)6-7-16(20)19-9-3-5-14(19)13-4-2-8-17-10-13/h2,4,8,10-11,14H,3,5-7,9H2,1H3/t14-/m1/s1.
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one?
3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one has a molecular weight of 301.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 96574369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).