N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide

C17H15N3OS — CID 100748644

IUPACN-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccc(-c2nnsc2C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H15N3OS/c1-11-6-8-13(9-7-11)15-16(22-20-19-15)17(21)18-14-5-3-4-12(2)10-14/h3-10H,1-2H3,(H,18,21)
InChIKeyCOAXNHXNRINRTO-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.07
Rot. Bonds3

About N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide

N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide (PubChem CID 100748644) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
PubChem CID100748644
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccc(-c2nnsc2C(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C17H15N3OS/c1-11-6-8-13(9-7-11)15-16(22-20-19-15)17(21)18-14-5-3-4-12(2)10-14/h3-10H,1-2H3,(H,18,21)
InChIKeyCOAXNHXNRINRTO-UHFFFAOYSA-N
XLogP4.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-N-(2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 100750600
N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
CID 100750993
5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 1499074
N-ethyl-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748441
4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
CID 100750972
methyl 2-[[4-(4-methylphenyl)thiadiazole-5-carbonyl]amino]benzoate
CID 100748907
N-(3,5-dichlorophenyl)-4-phenylthiadiazole-5-carboxamide
CID 2767937
4-methyl-2-(4-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152942
N-(2,5-dimethoxyphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748871
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide
CID 542426
4-(4-methoxyphenyl)-N-(2,4,6-trimethylphenyl)thiadiazole-5-carboxamide
CID 100746505

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide (CID 100748644) is N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide is Cc1ccc(-c2nnsc2C(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide?
The InChIKey is COAXNHXNRINRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-11-6-8-13(9-7-11)15-16(22-20-19-15)17(21)18-14-5-3-4-12(2)10-14/h3-10H,1-2H3,(H,18,21).
What are the key properties of N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide?
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 100748644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).