(3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

C15H16N4O2S — CID 7438685

IUPAC(3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)Nc3nncs3)CC2=O)cc1
InChIInChI=1S/C15H16N4O2S/c1-2-10-3-5-12(6-4-10)19-8-11(7-13(19)20)14(21)17-15-18-16-9-22-15/h3-6,9,11H,2,7-8H2,1H3,(H,17,18,21)/t11-/m1/s1
InChIKeyKNYDYKVYPSZTAY-LLVKDONJSA-N
MW316.39 g/mol
LogP2.09
Rot. Bonds4

About (3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide

(3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 7438685) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is (3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID7438685
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name(3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
SMILESCCc1ccc(N2C[C@H](C(=O)Nc3nncs3)CC2=O)cc1
InChIInChI=1S/C15H16N4O2S/c1-2-10-3-5-12(6-4-10)19-8-11(7-13(19)20)14(21)17-15-18-16-9-22-15/h3-6,9,11H,2,7-8H2,1H3,(H,17,18,21)/t11-/m1/s1
InChIKeyKNYDYKVYPSZTAY-LLVKDONJSA-N
XLogP2.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1088283
(3R)-1-(3-chloro-4-methylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 7438229
1-(4-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 3116947
1-(4-ethylphenyl)-5-oxo-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-3-carboxamide
CID 17082120
(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9389767
(3S)-N-(4-ethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 739797
(3R)-1-(4-ethylphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680412
(3S)-1-(4-ethylphenyl)-N-(2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102168
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082058
N-(3,5-dichlorophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17081984
(3S)-N-(3-ethylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7935157
1-(4-ethylphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17082119

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide (CID 7438685) is (3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is CCc1ccc(N2C[C@H](C(=O)Nc3nncs3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is KNYDYKVYPSZTAY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-2-10-3-5-12(6-4-10)19-8-11(7-13(19)20)14(21)17-15-18-16-9-22-15/h3-6,9,11H,2,7-8H2,1H3,(H,17,18,21)/t11-/m1/s1.
What are the key properties of (3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide?
(3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethylphenyl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 7438685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).