4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide

C17H15N3O2S2 — CID 100747220

IUPAC4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide
SMILESCOc1cccc(-c2nnsc2C(=O)Nc2cccc(SC)c2)c1
InChIInChI=1S/C17H15N3O2S2/c1-22-13-7-3-5-11(9-13)15-16(24-20-19-15)17(21)18-12-6-4-8-14(10-12)23-2/h3-10H,1-2H3,(H,18,21)
InChIKeyOJZVZPYKHMJEKH-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.19
Rot. Bonds5

About 4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide

4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide (PubChem CID 100747220) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide
PubChem CID100747220
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC Name4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide
SMILESCOc1cccc(-c2nnsc2C(=O)Nc2cccc(SC)c2)c1
InChIInChI=1S/C17H15N3O2S2/c1-22-13-7-3-5-11(9-13)15-16(24-20-19-15)17(21)18-12-6-4-8-14(10-12)23-2/h3-10H,1-2H3,(H,18,21)
InChIKeyOJZVZPYKHMJEKH-UHFFFAOYSA-N
XLogP4.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747200
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747133
N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100746623
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747205
4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 100746847
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 26676812
N-(1H-indol-5-yl)-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 45492112
2-(3-methoxyanilino)-2-phenyl-1-(4-phenylthiadiazol-5-yl)ethanone
CID 122606975
4-(4-fluorophenyl)-N-(3-methylsulfanylphenyl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 50928180
2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 47097986

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide (CID 100747220) is 4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide is COc1cccc(-c2nnsc2C(=O)Nc2cccc(SC)c2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide?
The InChIKey is OJZVZPYKHMJEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-22-13-7-3-5-11(9-13)15-16(24-20-19-15)17(21)18-12-6-4-8-14(10-12)23-2/h3-10H,1-2H3,(H,18,21).
What are the key properties of 4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide?
4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100747220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).