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

C18H23N3O3S — CID 126445759

IUPAC(3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc([C@H]2CCN(C(=O)NCc3csc(C)n3)C2)c1OC
InChIInChI=1S/C18H23N3O3S/c1-12-20-14(11-25-12)9-19-18(22)21-8-7-13(10-21)15-5-4-6-16(23-2)17(15)24-3/h4-6,11,13H,7-10H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyRFZKEYIBPPKOOA-ZDUSSCGKSA-N
MW361.47 g/mol
LogP3.17
Rot. Bonds5

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

(3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 126445759) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is (3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID126445759
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name(3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cccc([C@H]2CCN(C(=O)NCc3csc(C)n3)C2)c1OC
InChIInChI=1S/C18H23N3O3S/c1-12-20-14(11-25-12)9-19-18(22)21-8-7-13(10-21)15-5-4-6-16(23-2)17(15)24-3/h4-6,11,13H,7-10H2,1-3H3,(H,19,22)/t13-/m0/s1
InChIKeyRFZKEYIBPPKOOA-ZDUSSCGKSA-N
XLogP3.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide 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

3-(2,3-dimethoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 119067242
1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70750807
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 90650929
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119069111
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
CID 91783433
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97074016
N-(1,3-benzodioxol-5-yl)-3-(2,3-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 72837983
[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 97148435
1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 96529429
1-[2-[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 97275219
[(3R)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methanone
CID 99971887
2-(2,4-difluorophenoxy)-1-[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 72912911

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 126445759) is (3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide is COc1cccc([C@H]2CCN(C(=O)NCc3csc(C)n3)C2)c1OC.
What is the InChIKey of (3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is RFZKEYIBPPKOOA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12-20-14(11-25-12)9-19-18(22)21-8-7-13(10-21)15-5-4-6-16(23-2)17(15)24-3/h4-6,11,13H,7-10H2,1-3H3,(H,19,22)/t13-/m0/s1.
What are the key properties of (3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide?
(3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126445759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).