(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one

C14H16N4OS — CID 51604288

IUPAC(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@H](c3nnc(N)s3)CC2=O)cc1
InChIInChI=1S/C14H16N4OS/c1-2-9-3-5-11(6-4-9)18-8-10(7-12(18)19)13-16-17-14(15)20-13/h3-6,10H,2,7-8H2,1H3,(H2,15,17)/t10-/m1/s1
InChIKeyYGTGNYWGQHKKRZ-SNVBAGLBSA-N
MW288.38 g/mol
LogP2.20
Rot. Bonds3

About (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one

(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one (PubChem CID 51604288) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
PubChem CID51604288
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccc(N2C[C@H](c3nnc(N)s3)CC2=O)cc1
InChIInChI=1S/C14H16N4OS/c1-2-9-3-5-11(6-4-9)18-8-10(7-12(18)19)13-16-17-14(15)20-13/h3-6,10H,2,7-8H2,1H3,(H2,15,17)/t10-/m1/s1
InChIKeyYGTGNYWGQHKKRZ-SNVBAGLBSA-N
XLogP2.20
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 51604277
(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 51604276
N-[5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide
CID 17203531
N-[5-[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 40965970
2,5-dichloro-N-[5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17203220
N-[5-[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylacetamide
CID 40966180
4-(1,3-dioxoisoindol-2-yl)-N-[5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17204376
N-[5-[(3S)-1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-2,4-dimethoxybenzamide
CID 40966431
N-[5-[(3R)-1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-4-phenoxybutanamide
CID 40966167
(4S)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(3-chloro-2-methylphenyl)pyrrolidin-2-one
CID 51604297
(3R)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9389767
(E)-N-[5-[1-(4-ethylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 17203798

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one (CID 51604288) is (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one is CCc1ccc(N2C[C@H](c3nnc(N)s3)CC2=O)cc1.
What is the InChIKey of (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
The InChIKey is YGTGNYWGQHKKRZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-2-9-3-5-11(6-4-9)18-8-10(7-12(18)19)13-16-17-14(15)20-13/h3-6,10H,2,7-8H2,1H3,(H2,15,17)/t10-/m1/s1.
What are the key properties of (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one?
(4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one has a molecular weight of 288.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 51604288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).