5-(4-methylanilino)thiadiazole-4-carbonitrile

C10H8N4S — CID 14028173

IUPAC5-(4-methylanilino)thiadiazole-4-carbonitrile
SMILESCc1ccc(Nc2snnc2C#N)cc1
InChIInChI=1S/C10H8N4S/c1-7-2-4-8(5-3-7)12-10-9(6-11)13-14-15-10/h2-5,12H,1H3
InChIKeyLQZJNOOVEZBERI-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.46
Rot. Bonds2

About 5-(4-methylanilino)thiadiazole-4-carbonitrile

5-(4-methylanilino)thiadiazole-4-carbonitrile (PubChem CID 14028173) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 5-(4-methylanilino)thiadiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-methylanilino)thiadiazole-4-carbonitrile
PubChem CID14028173
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name5-(4-methylanilino)thiadiazole-4-carbonitrile
SMILESCc1ccc(Nc2snnc2C#N)cc1
InChIInChI=1S/C10H8N4S/c1-7-2-4-8(5-3-7)12-10-9(6-11)13-14-15-10/h2-5,12H,1H3
InChIKeyLQZJNOOVEZBERI-UHFFFAOYSA-N
XLogP2.46
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Anilino-1,2,3-thiadiazole-4-carbothioamide
CID 14028174
4-(aminomethyl)-N-phenylthiadiazol-5-amine
CID 12051746
1-(4-Methylphenyl)-3-(4-methyl-1,2,3-thiadiazol-5-yl)urea
CID 913063
5-Anilino-1,2,3-thiadiazole-4-carbonitrile
CID 14028172
4-(difluoromethyl)-N-(4-methylphenyl)thiadiazole-5-carbothioamide
CID 135171647
5-Anilino-4-methyl-1,2,3-thiadiazol
CID 555560
1-(5-Phenylamino-1,2,3-thiadiazol-4-yl)ethane-thione
CID 129743507
5-methyl-N-(4-methylphenyl)-1,2,3-thiadiazole-4-carbothioamide
CID 129743671
1-[5-(4-Methylphenylamino)-1,2,3-thiadiazol-4-yl]ethanethione
CID 129743724
2-Mercapto-6-(5-methyl-1-(p-tolyl)-1h-1,2,3-triazol-4-yl)nicotinonitrile
CID 129858479
5-(N-phenylanilino)thiadiazole-4-carbonitrile
CID 146169923
3-Fluoro-4-(thiadiazol-4-ylmethylamino)benzonitrile
CID 81650799

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)thiadiazole-4-carbonitrile?
The IUPAC name of 5-(4-methylanilino)thiadiazole-4-carbonitrile (CID 14028173) is 5-(4-methylanilino)thiadiazole-4-carbonitrile.
What is the SMILES notation for 5-(4-methylanilino)thiadiazole-4-carbonitrile?
The canonical SMILES for 5-(4-methylanilino)thiadiazole-4-carbonitrile is Cc1ccc(Nc2snnc2C#N)cc1.
What is the InChIKey of 5-(4-methylanilino)thiadiazole-4-carbonitrile?
The InChIKey is LQZJNOOVEZBERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c1-7-2-4-8(5-3-7)12-10-9(6-11)13-14-15-10/h2-5,12H,1H3.
What are the key properties of 5-(4-methylanilino)thiadiazole-4-carbonitrile?
5-(4-methylanilino)thiadiazole-4-carbonitrile has a molecular weight of 216.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylanilino)thiadiazole-4-carbonitrile is sourced from PubChem (CID 14028173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).