2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide

C17H20N4O2S — CID 120636505

IUPAC2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC1CC(NC(=O)c2csc(CCN)n2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H20N4O2S/c1-11-9-13(17(23)21(11)12-5-3-2-4-6-12)20-16(22)14-10-24-15(19-14)7-8-18/h2-6,10-11,13H,7-9,18H2,1H3,(H,20,22)
InChIKeyKGNOKWUSXWWOLS-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.57
Rot. Bonds5

About 2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 120636505) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID120636505
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC1CC(NC(=O)c2csc(CCN)n2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H20N4O2S/c1-11-9-13(17(23)21(11)12-5-3-2-4-6-12)20-16(22)14-10-24-15(19-14)7-8-18/h2-6,10-11,13H,7-9,18H2,1H3,(H,20,22)
InChIKeyKGNOKWUSXWWOLS-UHFFFAOYSA-N
XLogP1.57
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-aminoethyl)-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637755
2-(2-aminoethyl)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647090
2-(2-aminoethyl)-N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 120637990
3-methyl-N-[(3S,5R)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]triazole-4-carboxamide
CID 124873611
2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide
CID 129052515
2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 120619547
2-(2-aminoethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide
CID 107221881
2-(2-aminoethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634264
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)-1,3-thiazole-4-carboxamide
CID 79100029

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide (CID 120636505) is 2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide is CC1CC(NC(=O)c2csc(CCN)n2)C(=O)N1c1ccccc1.
What is the InChIKey of 2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is KGNOKWUSXWWOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-9-13(17(23)21(11)12-5-3-2-4-6-12)20-16(22)14-10-24-15(19-14)7-8-18/h2-6,10-11,13H,7-9,18H2,1H3,(H,20,22).
What are the key properties of 2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120636505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).