2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide

C17H19N3O3S — CID 141313042

IUPAC2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
SMILESCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc1C(N)=O
InChIInChI=1S/C17H19N3O3S/c1-10-9-24-16(19-10)13-4-3-7-20(13)17(22)11-5-6-14(23-2)12(8-11)15(18)21/h5-6,8-9,13H,3-4,7H2,1-2H3,(H2,18,21)/t13-/m1/s1
InChIKeySAGDOFONRBAABV-CYBMUJFWSA-N
MW345.42 g/mol
LogP2.54
Rot. Bonds4

About 2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide

2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide (PubChem CID 141313042) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
PubChem CID141313042
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
SMILESCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc1C(N)=O
InChIInChI=1S/C17H19N3O3S/c1-10-9-24-16(19-10)13-4-3-7-20(13)17(22)11-5-6-14(23-2)12(8-11)15(18)21/h5-6,8-9,13H,3-4,7H2,1-2H3,(H2,18,21)/t13-/m1/s1
InChIKeySAGDOFONRBAABV-CYBMUJFWSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxamide
CID 68671050
[4-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762290
[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 136557575
methyl 2-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]pyridine-4-carboxylate
CID 57496019
methyl 3-formyl-5-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzoate
CID 57496021
5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119126423
(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 67514600
[2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762073
methyl 3-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-5-(1,3-oxazol-2-yl)benzoate
CID 57496018
methyl 3-(methylsulfonylmethylamino)-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzoate
CID 66777082
[3-[5-(2-amino-1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-yl]-5-methoxyphenyl]-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 67515215

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide?
The IUPAC name of 2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide (CID 141313042) is 2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide?
The canonical SMILES for 2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide is COc1ccc(C(=O)N2CCC[C@@H]2c2nc(C)cs2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide?
The InChIKey is SAGDOFONRBAABV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-10-9-24-16(19-10)13-4-3-7-20(13)17(22)11-5-6-14(23-2)12(8-11)15(18)21/h5-6,8-9,13H,3-4,7H2,1-2H3,(H2,18,21)/t13-/m1/s1.
What are the key properties of 2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide?
2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide has a molecular weight of 345.42 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide is sourced from PubChem (CID 141313042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).