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

C11H11N3OS2 — CID 542426

IUPACN-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide
SMILESCSc1snnc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C11H11N3OS2/c1-7-4-3-5-8(6-7)12-10(15)9-11(16-2)17-14-13-9/h3-6H,1-2H3,(H,12,15)
InChIKeyBGASPAPHDOYNBO-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.82
Rot. Bonds3

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

N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide (PubChem CID 542426) has the molecular formula C11H11N3OS2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide
PubChem CID542426
Molecular FormulaC11H11N3OS2
Molecular Weight265.36 g/mol
Exact Mass265.03
IUPAC NameN-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide
SMILESCSc1snnc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C11H11N3OS2/c1-7-4-3-5-8(6-7)12-10(15)9-11(16-2)17-14-13-9/h3-6H,1-2H3,(H,12,15)
InChIKeyBGASPAPHDOYNBO-UHFFFAOYSA-N
XLogP2.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(3-methylphenyl)thiadiazole-4-carboxamide
CID 1499074
N-(3-methylphenyl)-5-methylsulfanyl-2H-triazole-4-carboxamide
CID 572491
N-(3-methylphenyl)-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748644
N-(4-fluorophenyl)-5-(3-methylphenyl)sulfonylthiadiazole-4-carboxamide
CID 170103550
N-(3-methylphenyl)acetamide
CID 10843
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871
N-(3-methylphenyl)pyridazine-3-carboxamide
CID 23633019
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
4-amino-5-methyl-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 62083149
5-(4-chlorophenyl)sulfanyl-N-(2-fluoro-4-methylphenyl)thiadiazole-4-carboxamide
CID 170103472
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
N-(3-methylphenyl)-3-oxo-4H-quinoxaline-2-carboxamide
CID 53016080

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide (CID 542426) is N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide is CSc1snnc1C(=O)Nc1cccc(C)c1.
What is the InChIKey of N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide?
The InChIKey is BGASPAPHDOYNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS2/c1-7-4-3-5-8(6-7)12-10(15)9-11(16-2)17-14-13-9/h3-6H,1-2H3,(H,12,15).
What are the key properties of N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide?
N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5-methylsulfanylthiadiazole-4-carboxamide is sourced from PubChem (CID 542426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).