2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide

C16H14N4O2S2 — CID 46354001

IUPAC2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESO=C(NCCc1cccs1)c1nnc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H14N4O2S2/c21-13(17-9-8-12-7-4-10-23-12)15-19-20-16(24-15)14(22)18-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,17,21)(H,18,22)
InChIKeyKAYRJEUSNFQEGW-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.82
Rot. Bonds6

About 2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide

2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide (PubChem CID 46354001) has the molecular formula C16H14N4O2S2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
PubChem CID46354001
Molecular FormulaC16H14N4O2S2
Molecular Weight358.45 g/mol
Exact Mass358.06
IUPAC Name2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
SMILESO=C(NCCc1cccs1)c1nnc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H14N4O2S2/c21-13(17-9-8-12-7-4-10-23-12)15-19-20-16(24-15)14(22)18-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,17,21)(H,18,22)
InChIKeyKAYRJEUSNFQEGW-UHFFFAOYSA-N
XLogP2.82
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353949
N-(4-fluorophenyl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide
CID 46327812
5-[(4-methylphenoxy)methyl]-N-[3-(2-thiophen-2-ylethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332536
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111073642
5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353927
2-N-(3-chlorophenyl)-5-N-(3-phenylpropyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353792
N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17397396
N'-(2-thiophen-2-ylethyl)oxamide
CID 115192053
1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160126
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371
5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615369
1-(4-chlorophenyl)-3-(2-thiophen-2-ylethyl)urea
CID 6457397

Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
The IUPAC name of 2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide (CID 46354001) is 2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide.
What is the SMILES notation for 2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
The canonical SMILES for 2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide is O=C(NCCc1cccs1)c1nnc(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
The InChIKey is KAYRJEUSNFQEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S2/c21-13(17-9-8-12-7-4-10-23-12)15-19-20-16(24-15)14(22)18-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,17,21)(H,18,22).
What are the key properties of 2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide?
2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide has a molecular weight of 358.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-5-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide is sourced from PubChem (CID 46354001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).