N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide

C17H15N3O3S — CID 100747133

IUPACN-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1cccc(-c2nnsc2C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C17H15N3O3S/c1-22-12-7-5-6-11(10-12)15-16(24-20-19-15)17(21)18-13-8-3-4-9-14(13)23-2/h3-10H,1-2H3,(H,18,21)
InChIKeyNKQAMLPUBFARSZ-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.47
Rot. Bonds5

About N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide

N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide (PubChem CID 100747133) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
PubChem CID100747133
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
SMILESCOc1cccc(-c2nnsc2C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C17H15N3O3S/c1-22-12-7-5-6-11(10-12)15-16(24-20-19-15)17(21)18-13-8-3-4-9-14(13)23-2/h3-10H,1-2H3,(H,18,21)
InChIKeyNKQAMLPUBFARSZ-UHFFFAOYSA-N
XLogP3.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747205
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
N-ethyl-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100746623
N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748871
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 100746847
4-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)thiadiazole-5-carboxamide
CID 100747220
4-(4-fluorophenyl)-N-(2-phenoxyphenyl)thiadiazole-5-carboxamide
CID 100750257
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747200
N-(2-methoxyphenyl)-4-phenyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 53002042
N-(2-chlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 100745439
N-(2-bromophenyl)-4-phenylthiadiazole-5-carboxamide
CID 100745447

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide (CID 100747133) is N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide is COc1cccc(-c2nnsc2C(=O)Nc2ccccc2OC)c1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
The InChIKey is NKQAMLPUBFARSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-12-7-5-6-11(10-12)15-16(24-20-19-15)17(21)18-13-8-3-4-9-14(13)23-2/h3-10H,1-2H3,(H,18,21).
What are the key properties of N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide?
N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100747133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).