2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide

C17H20N4O3S — CID 42814325

IUPAC2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1Nc1nc(C(=O)NCC(=O)N2CCCC2)cs1
InChIInChI=1S/C17H20N4O3S/c1-24-14-7-3-2-6-12(14)19-17-20-13(11-25-17)16(23)18-10-15(22)21-8-4-5-9-21/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,23)(H,19,20)
InChIKeyYDLJAYIWKIEVGD-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.25
Rot. Bonds6

About 2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide

2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 42814325) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID42814325
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1Nc1nc(C(=O)NCC(=O)N2CCCC2)cs1
InChIInChI=1S/C17H20N4O3S/c1-24-14-7-3-2-6-12(14)19-17-20-13(11-25-17)16(23)18-10-15(22)21-8-4-5-9-21/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,23)(H,19,20)
InChIKeyYDLJAYIWKIEVGD-UHFFFAOYSA-N
XLogP2.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
CID 83279349
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
(3R)-1-[2-(2-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 93306736
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-(2-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 93306756
2-(2,4-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 16955044
N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158381
2-(2,4-dimethoxyanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16955025
2-(2-methoxyanilino)-N-methyl-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-1,3-thiazole-4-carboxamide
CID 93306448
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46525069
2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 50830665
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18157145

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide (CID 42814325) is 2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide is COc1ccccc1Nc1nc(C(=O)NCC(=O)N2CCCC2)cs1.
What is the InChIKey of 2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YDLJAYIWKIEVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-24-14-7-3-2-6-12(14)19-17-20-13(11-25-17)16(23)18-10-15(22)21-8-4-5-9-21/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,23)(H,19,20).
What are the key properties of 2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide?
2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42814325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).