4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide

C7H5N3OS2 — CID 11367830

IUPAC4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide
SMILESNC(=O)c1nsnc1-c1cccs1
InChIInChI=1S/C7H5N3OS2/c8-7(11)6-5(9-13-10-6)4-2-1-3-12-4/h1-3H,(H2,8,11)
InChIKeyAGNZWZJLWUDCBL-UHFFFAOYSA-N
MW211.27 g/mol
LogP1.37
Rot. Bonds2

About 4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide

4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 11367830) has the molecular formula C7H5N3OS2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound Name4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide
PubChem CID11367830
Molecular FormulaC7H5N3OS2
Molecular Weight211.27 g/mol
Exact Mass210.99
IUPAC Name4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide
SMILESNC(=O)c1nsnc1-c1cccs1
InChIInChI=1S/C7H5N3OS2/c8-7(11)6-5(9-13-10-6)4-2-1-3-12-4/h1-3H,(H2,8,11)
InChIKeyAGNZWZJLWUDCBL-UHFFFAOYSA-N
XLogP1.37
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-1,2,5-thiadiazole-3-carboxamide
CID 11322035
3-thiophen-2-yl-1,2-oxazole-5-carboxamide
CID 776505
3-thiophen-2-ylpyrazine-2-carboxylic acid
CID 82470252
4-thiophen-2-ylbenzamide;hydrochloride
CID 175969827
3-(aminomethyl)-6-thiophen-2-ylpyrazine-2-carboxamide
CID 91466528
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 130667272
4-(5-amino-4-thiophen-2-yltriazol-1-yl)phenol
CID 82369948
2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 140775055
3-amino-6-(6-oxo-1-propan-2-ylpyridazin-3-yl)-5-thiophen-2-ylpyrazine-2-carboxamide
CID 69331975
4,9-dimethyl-6,7-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 164741343
3-(1-methylpyrrol-2-yl)-5-thiophen-2-yl-1,2,6-thiadiazin-4-one
CID 86278760

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of 4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide (CID 11367830) is 4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for 4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for 4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide is NC(=O)c1nsnc1-c1cccs1.
What is the InChIKey of 4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is AGNZWZJLWUDCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3OS2/c8-7(11)6-5(9-13-10-6)4-2-1-3-12-4/h1-3H,(H2,8,11).
What are the key properties of 4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide?
4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 211.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 11367830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).