[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone

C16H18N2O2S — CID 121094251

IUPAC[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1csc(COc2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C16H18N2O2S/c1-12-11-21-15(17-12)10-20-14-6-4-13(5-7-14)16(19)18-8-2-3-9-18/h4-7,11H,2-3,8-10H2,1H3
InChIKeyAOJXGROBQICJCL-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.27
Rot. Bonds4

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

[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 121094251) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is [4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID121094251
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1csc(COc2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C16H18N2O2S/c1-12-11-21-15(17-12)10-20-14-6-4-13(5-7-14)16(19)18-8-2-3-9-18/h4-7,11H,2-3,8-10H2,1H3
InChIKeyAOJXGROBQICJCL-UHFFFAOYSA-N
XLogP3.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone 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-methylpiperidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
CID 121094253
(4-benzhydrylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]methanone
CID 121094263
2-[(4-fluorophenoxy)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24672806
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348
N-butan-2-yl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094276
4-[(4-methyl-1,3-thiazol-2-yl)methoxy]-N-propylbenzamide
CID 121094272
4-methyl-2-[(4-methylphenoxy)methyl]-1,3-thiazole
CID 78998169
pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone
CID 126830676
1-(4-benzoylpiperazin-1-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 31189065
1-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]ethanone
CID 29202246
N-benzyl-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094285
[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24672462

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone (CID 121094251) is [4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone is Cc1csc(COc2ccc(C(=O)N3CCCC3)cc2)n1.
What is the InChIKey of [4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is AOJXGROBQICJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-11-21-15(17-12)10-20-14-6-4-13(5-7-14)16(19)18-8-2-3-9-18/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of [4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone?
[4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 302.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 121094251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).