2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide

C17H20N4O2S — CID 119783728

IUPAC2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(CN)n1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H20N4O2S/c1-2-20(16(22)13-11-24-15(10-18)19-13)14-8-9-21(17(14)23)12-6-4-3-5-7-12/h3-7,11,14H,2,8-10,18H2,1H3
InChIKeyPMKCKICUBDFLGB-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.87
Rot. Bonds5

About 2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 119783728) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID119783728
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(CN)n1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H20N4O2S/c1-2-20(16(22)13-11-24-15(10-18)19-13)14-8-9-21(17(14)23)12-6-4-3-5-7-12/h3-7,11,14H,2,8-10,18H2,1H3
InChIKeyPMKCKICUBDFLGB-UHFFFAOYSA-N
XLogP1.87
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119184961
2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 129414917
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 136524921
5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
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4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
CID 120562641
N-ethyl-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 95315176
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
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2-(aminomethyl)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66378238
2-(aminomethyl)-N-(1-benzylpiperidin-3-yl)-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119857615
1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
CID 71862647
2-(aminomethyl)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 119798476
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide (CID 119783728) is 2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide is CCN(C(=O)c1csc(CN)n1)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PMKCKICUBDFLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-2-20(16(22)13-11-24-15(10-18)19-13)14-8-9-21(17(14)23)12-6-4-3-5-7-12/h3-7,11,14H,2,8-10,18H2,1H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119783728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).