3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one

C12H18N2O2S — CID 73440150

IUPAC3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCCC1c1nc(C)cs1
InChIInChI=1S/C12H18N2O2S/c1-9-8-17-12(13-9)10-4-3-6-14(10)11(15)5-7-16-2/h8,10H,3-7H2,1-2H3
InChIKeyKXAWOMOUGPEWNG-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.15
Rot. Bonds4

About 3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one

3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 73440150) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID73440150
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCCC1c1nc(C)cs1
InChIInChI=1S/C12H18N2O2S/c1-9-8-17-12(13-9)10-4-3-6-14(10)11(15)5-7-16-2/h8,10H,3-7H2,1-2H3
InChIKeyKXAWOMOUGPEWNG-UHFFFAOYSA-N
XLogP2.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 73440150) is 3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one is COCCC(=O)N1CCCC1c1nc(C)cs1.
What is the InChIKey of 3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is KXAWOMOUGPEWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9-8-17-12(13-9)10-4-3-6-14(10)11(15)5-7-16-2/h8,10H,3-7H2,1-2H3.
What are the key properties of 3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one?
3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 254.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 73440150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).