4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide

C8H8N4OS2 — CID 6852097

IUPAC4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nccs1
InChIInChI=1S/C8H8N4OS2/c1-2-5-6(15-12-11-5)7(13)10-8-9-3-4-14-8/h3-4H,2H2,1H3,(H,9,10,13)
InChIKeyXLWGYCNDTKOPNI-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.81
Rot. Bonds3

About 4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide

4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide (PubChem CID 6852097) has the molecular formula C8H8N4OS2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide
PubChem CID6852097
Molecular FormulaC8H8N4OS2
Molecular Weight240.31 g/mol
Exact Mass240.01
IUPAC Name4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nccs1
InChIInChI=1S/C8H8N4OS2/c1-2-5-6(15-12-11-5)7(13)10-8-9-3-4-14-8/h3-4H,2H2,1H3,(H,9,10,13)
InChIKeyXLWGYCNDTKOPNI-UHFFFAOYSA-N
XLogP1.81
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide (CID 6852097) is 4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1nccs1.
What is the InChIKey of 4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide?
The InChIKey is XLWGYCNDTKOPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS2/c1-2-5-6(15-12-11-5)7(13)10-8-9-3-4-14-8/h3-4H,2H2,1H3,(H,9,10,13).
What are the key properties of 4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide?
4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1,3-thiazol-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 6852097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).