4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide

C8H9N5OS — CID 60967961

IUPAC4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H9N5OS/c1-2-5-6(15-13-12-5)7(14)11-8-9-3-4-10-8/h3-4H,2H2,1H3,(H2,9,10,11,14)
InChIKeyJIHIULWKAQDELN-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.08
Rot. Bonds3

About 4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide

4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide (PubChem CID 60967961) has the molecular formula C8H9N5OS and a molecular weight of 223.26 g/mol. Its IUPAC name is 4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide
PubChem CID60967961
Molecular FormulaC8H9N5OS
Molecular Weight223.26 g/mol
Exact Mass223.05
IUPAC Name4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C8H9N5OS/c1-2-5-6(15-13-12-5)7(14)11-8-9-3-4-10-8/h3-4H,2H2,1H3,(H2,9,10,11,14)
InChIKeyJIHIULWKAQDELN-UHFFFAOYSA-N
XLogP1.08
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide (CID 60967961) is 4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ncc[nH]1.
What is the InChIKey of 4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide?
The InChIKey is JIHIULWKAQDELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5OS/c1-2-5-6(15-13-12-5)7(14)11-8-9-3-4-10-8/h3-4H,2H2,1H3,(H2,9,10,11,14).
What are the key properties of 4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide?
4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide has a molecular weight of 223.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(1H-imidazol-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 60967961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).