2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide

C16H19N5O2S — CID 4919394

IUPAC2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCCc1nnc(NC(=O)C2CCCN2C(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H19N5O2S/c1-2-13-19-20-15(24-13)18-14(22)12-9-6-10-21(12)16(23)17-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,17,23)(H,18,20,22)
InChIKeyGWCWRGACWBCTBK-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.74
Rot. Bonds4

About 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide

2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 4919394) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID4919394
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCCc1nnc(NC(=O)C2CCCN2C(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H19N5O2S/c1-2-13-19-20-15(24-13)18-14(22)12-9-6-10-21(12)16(23)17-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,17,23)(H,18,20,22)
InChIKeyGWCWRGACWBCTBK-UHFFFAOYSA-N
XLogP2.74
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Succinamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-N'-phenyl-
CID 1390721
N1-(4-Chlorophenyl)-N2-(5-ethyl-1,3,4-thiadiazol-2-YL)pyrrolidine-1,2-dicarboxamide
CID 24792435
N1-(5-isobutyl-1,3,4-thiadiazol-2-yl)-N4-phenylsuccinamide
CID 944343
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 650320
2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1361150
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
CID 1398515
N-[2-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 2477045
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2972860
N1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N4-phenylsuccinamide
CID 663467
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 1399251
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2980540
N2-(5-Isopropyl-1,3,4-thiadiazol-2-YL)-N1-phenylpyrrolidine-1,2-dicarboxamide
CID 24792566

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 4919394) is 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide is CCc1nnc(NC(=O)C2CCCN2C(=O)Nc2ccccc2)s1.
What is the InChIKey of 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is GWCWRGACWBCTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-2-13-19-20-15(24-13)18-14(22)12-9-6-10-21(12)16(23)17-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,17,23)(H,18,20,22).
What are the key properties of 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 345.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 4919394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).