N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide

C10H9N3O2S — CID 973104

IUPACN-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cnsn2)c1
InChIInChI=1S/C10H9N3O2S/c1-15-8-4-2-3-7(5-8)12-10(14)9-6-11-16-13-9/h2-6H,1H3,(H,12,14)
InChIKeyQHITXHNQOFYRKM-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.80
Rot. Bonds3

About N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide

N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 973104) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID973104
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC NameN-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cnsn2)c1
InChIInChI=1S/C10H9N3O2S/c1-15-8-4-2-3-7(5-8)12-10(14)9-6-11-16-13-9/h2-6H,1H3,(H,12,14)
InChIKeyQHITXHNQOFYRKM-UHFFFAOYSA-N
XLogP1.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide (CID 973104) is N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide is COc1cccc(NC(=O)c2cnsn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is QHITXHNQOFYRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-15-8-4-2-3-7(5-8)12-10(14)9-6-11-16-13-9/h2-6H,1H3,(H,12,14).
What are the key properties of N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide?
N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 973104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).