3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide

C18H23N3O2S — CID 136527332

IUPAC3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCOCC1CCN(C(=O)NCc2ccc(-c3csc(C)n3)cc2)C1
InChIInChI=1S/C18H23N3O2S/c1-13-20-17(12-24-13)16-5-3-14(4-6-16)9-19-18(22)21-8-7-15(10-21)11-23-2/h3-6,12,15H,7-11H2,1-2H3,(H,19,22)
InChIKeyKSLWOHGAIPQVGZ-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.30
Rot. Bonds5

About 3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide

3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 136527332) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID136527332
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCOCC1CCN(C(=O)NCc2ccc(-c3csc(C)n3)cc2)C1
InChIInChI=1S/C18H23N3O2S/c1-13-20-17(12-24-13)16-5-3-14(4-6-16)9-19-18(22)21-8-7-15(10-21)11-23-2/h3-6,12,15H,7-11H2,1-2H3,(H,19,22)
InChIKeyKSLWOHGAIPQVGZ-UHFFFAOYSA-N
XLogP3.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24513884
N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505510
1-(4-fluorophenyl)sulfonyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-4-carboxamide
CID 24509082
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-3-carboxamide
CID 24533422
methyl 4-[[[C-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzoate
CID 111735073
4-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 17446212
1-(2,5-difluorophenyl)sulfonyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-4-carboxamide
CID 24513879
3,5-difluoro-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397079
3-(methoxymethyl)-N-[(4-methoxyphenyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111737722
2-(4-methylphenoxy)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]propanamide
CID 24509083
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 119486276
2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 136527332) is 3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide is COCC1CCN(C(=O)NCc2ccc(-c3csc(C)n3)cc2)C1.
What is the InChIKey of 3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is KSLWOHGAIPQVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-20-17(12-24-13)16-5-3-14(4-6-16)9-19-18(22)21-8-7-15(10-21)11-23-2/h3-6,12,15H,7-11H2,1-2H3,(H,19,22).
What are the key properties of 3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136527332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).