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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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).