N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide

C7H8N6O2S — CID 104817809

IUPACN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cnsn2)n1
InChIInChI=1S/C7H8N6O2S/c1-2-15-7-10-6(11-12-7)9-5(14)4-3-8-16-13-4/h3H,2H2,1H3,(H2,9,10,11,12,14)
InChIKeyATDDRIORJRSCDW-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.31
Rot. Bonds4

About N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 104817809) has the molecular formula C7H8N6O2S and a molecular weight of 240.25 g/mol. Its IUPAC name is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID104817809
Molecular FormulaC7H8N6O2S
Molecular Weight240.25 g/mol
Exact Mass240.04
IUPAC NameN-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCOc1n[nH]c(NC(=O)c2cnsn2)n1
InChIInChI=1S/C7H8N6O2S/c1-2-15-7-10-6(11-12-7)9-5(14)4-3-8-16-13-4/h3H,2H2,1H3,(H2,9,10,11,12,14)
InChIKeyATDDRIORJRSCDW-UHFFFAOYSA-N
XLogP0.31
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide
CID 113456534
6-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyridazine-3-carboxamide
CID 114037244
4-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzene-1,4-dicarboxamide
CID 104818136
4,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104817061
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4,5-dimethylthiophene-2-carboxamide
CID 113456543
2,3-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817090
5-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 104818172
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159
3,5-dichloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-4-methoxybenzamide
CID 104817447
3-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)benzamide
CID 104817083
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-iodothiophene-3-carboxamide
CID 104818342
2-chloro-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylbenzamide
CID 104818354

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide (CID 104817809) is N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide is CCOc1n[nH]c(NC(=O)c2cnsn2)n1.
What is the InChIKey of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is ATDDRIORJRSCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2S/c1-2-15-7-10-6(11-12-7)9-5(14)4-3-8-16-13-4/h3H,2H2,1H3,(H2,9,10,11,12,14).
What are the key properties of N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide?
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 104817809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).