1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one

C17H20N2O2S — CID 136547893

IUPAC1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one
SMILESCc1csc(CCC(=O)N2CC(O)CC2c2ccccc2)n1
InChIInChI=1S/C17H20N2O2S/c1-12-11-22-16(18-12)7-8-17(21)19-10-14(20)9-15(19)13-5-3-2-4-6-13/h2-6,11,14-15,20H,7-10H2,1H3
InChIKeyCQYUQHJQFBWHPO-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.72
Rot. Bonds4

About 1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one

1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one (PubChem CID 136547893) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one
PubChem CID136547893
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one
SMILESCc1csc(CCC(=O)N2CC(O)CC2c2ccccc2)n1
InChIInChI=1S/C17H20N2O2S/c1-12-11-22-16(18-12)7-8-17(21)19-10-14(20)9-15(19)13-5-3-2-4-6-13/h2-6,11,14-15,20H,7-10H2,1H3
InChIKeyCQYUQHJQFBWHPO-UHFFFAOYSA-N
XLogP2.72
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-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

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one (CID 136547893) is 1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one is Cc1csc(CCC(=O)N2CC(O)CC2c2ccccc2)n1.
What is the InChIKey of 1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one?
The InChIKey is CQYUQHJQFBWHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-11-22-16(18-12)7-8-17(21)19-10-14(20)9-15(19)13-5-3-2-4-6-13/h2-6,11,14-15,20H,7-10H2,1H3.
What are the key properties of 1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one?
1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one has a molecular weight of 316.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-phenylpyrrolidin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 136547893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).