1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide

C17H19N3O3S — CID 56922790

IUPAC1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(-c2nc(C)c(C(=O)N3CCCC3C(N)=O)s2)c1
InChIInChI=1S/C17H19N3O3S/c1-10-14(17(22)20-8-4-7-13(20)15(18)21)24-16(19-10)11-5-3-6-12(9-11)23-2/h3,5-6,9,13H,4,7-8H2,1-2H3,(H2,18,21)
InChIKeyQZQBLSSXCMXTRO-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.22
Rot. Bonds4

About 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide

1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 56922790) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide
PubChem CID56922790
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1cccc(-c2nc(C)c(C(=O)N3CCCC3C(N)=O)s2)c1
InChIInChI=1S/C17H19N3O3S/c1-10-14(17(22)20-8-4-7-13(20)15(18)21)24-16(19-10)11-5-3-6-12(9-11)23-2/h3,5-6,9,13H,4,7-8H2,1-2H3,(H2,18,21)
InChIKeyQZQBLSSXCMXTRO-UHFFFAOYSA-N
XLogP2.22
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide
CID 39309690
(2R)-1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371551
(2R)-1-[2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide
CID 39338447
[2-(aminomethyl)pyrrolidin-1-yl]-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119633380
[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42569652
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
(3-methoxyphenyl)-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 55574894
1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355909
(2R)-1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370974
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 42537522
[(2R)-2-benzylpyrrolidin-1-yl]-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 32825320
1-(3,4-dichlorobenzoyl)-N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 42662254

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide (CID 56922790) is 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide is COc1cccc(-c2nc(C)c(C(=O)N3CCCC3C(N)=O)s2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is QZQBLSSXCMXTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-10-14(17(22)20-8-4-7-13(20)15(18)21)24-16(19-10)11-5-3-6-12(9-11)23-2/h3,5-6,9,13H,4,7-8H2,1-2H3,(H2,18,21).
What are the key properties of 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide?
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56922790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).