2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

C18H22N4O4S — CID 120637990

IUPAC2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)c3csc(CCN)n3)C2=O)c1
InChIInChI=1S/C18H22N4O4S/c1-25-12-7-11(8-13(9-12)26-2)22-6-4-14(18(22)24)21-17(23)15-10-27-16(20-15)3-5-19/h7-10,14H,3-6,19H2,1-2H3,(H,21,23)
InChIKeyGRAXQNASUGKWPM-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.20
Rot. Bonds7

About 2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 120637990) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID120637990
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(OC)cc(N2CCC(NC(=O)c3csc(CCN)n3)C2=O)c1
InChIInChI=1S/C18H22N4O4S/c1-25-12-7-11(8-13(9-12)26-2)22-6-4-14(18(22)24)21-17(23)15-10-27-16(20-15)3-5-19/h7-10,14H,3-6,19H2,1-2H3,(H,21,23)
InChIKeyGRAXQNASUGKWPM-UHFFFAOYSA-N
XLogP1.20
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-aminoethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637755
2-(2-aminoethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634264
2-(2-aminoethyl)-N-(2-oxo-1-phenylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120633333
2-(2-aminoethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 114094153
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 119798476
2-(aminomethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119792966
4-(aminomethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]benzamide;hydrochloride
CID 119341784
2-(4-aminophenyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119815353
2-(aminomethyl)-N-(1-methyl-2-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 103810798
2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 120636505
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]prop-2-enamide
CID 166406195

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 120637990) is 2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is COc1cc(OC)cc(N2CCC(NC(=O)c3csc(CCN)n3)C2=O)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is GRAXQNASUGKWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-25-12-7-11(8-13(9-12)26-2)22-6-4-14(18(22)24)21-17(23)15-10-27-16(20-15)3-5-19/h7-10,14H,3-6,19H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120637990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).