N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide

C7H8N6O2S — CID 83101329

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2snnc2C)n1
InChIInChI=1S/C7H8N6O2S/c1-3-4(16-13-10-3)5(14)8-6-9-7(15-2)12-11-6/h1-2H3,(H2,8,9,11,12,14)
InChIKeyVLEVPFHJMFPOCL-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.23
Rot. Bonds3

About N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide (PubChem CID 83101329) has the molecular formula C7H8N6O2S and a molecular weight of 240.25 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide
PubChem CID83101329
Molecular FormulaC7H8N6O2S
Molecular Weight240.25 g/mol
Exact Mass240.04
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2snnc2C)n1
InChIInChI=1S/C7H8N6O2S/c1-3-4(16-13-10-3)5(14)8-6-9-7(15-2)12-11-6/h1-2H3,(H2,8,9,11,12,14)
InChIKeyVLEVPFHJMFPOCL-UHFFFAOYSA-N
XLogP0.23
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide (CID 83101329) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide is COc1n[nH]c(NC(=O)c2snnc2C)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is VLEVPFHJMFPOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2S/c1-3-4(16-13-10-3)5(14)8-6-9-7(15-2)12-11-6/h1-2H3,(H2,8,9,11,12,14).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 83101329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).