5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

C8H8N4OS2 — CID 80615369

IUPAC5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)NCc2cccs2)s1
InChIInChI=1S/C8H8N4OS2/c9-8-12-11-7(15-8)6(13)10-4-5-2-1-3-14-5/h1-3H,4H2,(H2,9,12)(H,10,13)
InChIKeyIVGVYQTUEPEABG-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.11
Rot. Bonds3

About 5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615369) has the molecular formula C8H8N4OS2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615369
Molecular FormulaC8H8N4OS2
Molecular Weight240.31 g/mol
Exact Mass240.01
IUPAC Name5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)NCc2cccs2)s1
InChIInChI=1S/C8H8N4OS2/c9-8-12-11-7(15-8)6(13)10-4-5-2-1-3-14-5/h1-3H,4H2,(H2,9,12)(H,10,13)
InChIKeyIVGVYQTUEPEABG-UHFFFAOYSA-N
XLogP1.11
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-tert-butylphenyl)-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 57081749
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696608
4-amino-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62153900
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide
CID 61093192
6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120
5-amino-N-[(4-methylsulfonylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617105
1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide
CID 106770448
5-amino-1-benzyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 7385917
2-amino-5-chloro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 114922128

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide (CID 80615369) is 5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is Nc1nnc(C(=O)NCc2cccs2)s1.
What is the InChIKey of 5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is IVGVYQTUEPEABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS2/c9-8-12-11-7(15-8)6(13)10-4-5-2-1-3-14-5/h1-3H,4H2,(H2,9,12)(H,10,13).
What are the key properties of 5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).