1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C16H18N4O2S — CID 118634244

IUPAC1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(CN1CCCC1C(=O)Nc1nccs1)Nc1ccccc1
InChIInChI=1S/C16H18N4O2S/c21-14(18-12-5-2-1-3-6-12)11-20-9-4-7-13(20)15(22)19-16-17-8-10-23-16/h1-3,5-6,8,10,13H,4,7,9,11H2,(H,18,21)(H,17,19,22)
InChIKeySPRYKOJNWBGGMA-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.18
Rot. Bonds5

About 1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 118634244) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID118634244
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(CN1CCCC1C(=O)Nc1nccs1)Nc1ccccc1
InChIInChI=1S/C16H18N4O2S/c21-14(18-12-5-2-1-3-6-12)11-20-9-4-7-13(20)15(22)19-16-17-8-10-23-16/h1-3,5-6,8,10,13H,4,7,9,11H2,(H,18,21)(H,17,19,22)
InChIKeySPRYKOJNWBGGMA-UHFFFAOYSA-N
XLogP2.18
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichlorophenyl)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 55628088
(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide
CID 25490937
N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 154748675
methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
CID 79833913
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
1-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 126792661
1-[2-(methylcarbamoylamino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 42948760
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 47019585
(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 51725831
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 118634244) is 1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(CN1CCCC1C(=O)Nc1nccs1)Nc1ccccc1.
What is the InChIKey of 1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is SPRYKOJNWBGGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c21-14(18-12-5-2-1-3-6-12)11-20-9-4-7-13(20)15(22)19-16-17-8-10-23-16/h1-3,5-6,8,10,13H,4,7,9,11H2,(H,18,21)(H,17,19,22).
What are the key properties of 1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilino-2-oxoethyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 118634244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).