4-methylthiadiazole-5-carbonitrile

C4H3N3S — CID 15906629

IUPAC4-methylthiadiazole-5-carbonitrile
SMILESCc1nnsc1C#N
InChIInChI=1S/C4H3N3S/c1-3-4(2-5)8-7-6-3/h1H3
InChIKeySSRVAYBDOKEBHG-UHFFFAOYSA-N
MW125.16 g/mol
LogP0.72
Rot. Bonds

About 4-methylthiadiazole-5-carbonitrile

4-methylthiadiazole-5-carbonitrile (PubChem CID 15906629) has the molecular formula C4H3N3S and a molecular weight of 125.16 g/mol. Its IUPAC name is 4-methylthiadiazole-5-carbonitrile.

Molecular Properties

Compound Name4-methylthiadiazole-5-carbonitrile
PubChem CID15906629
Molecular FormulaC4H3N3S
Molecular Weight125.16 g/mol
Exact Mass125.00
IUPAC Name4-methylthiadiazole-5-carbonitrile
SMILESCc1nnsc1C#N
InChIInChI=1S/C4H3N3S/c1-3-4(2-5)8-7-6-3/h1H3
InChIKeySSRVAYBDOKEBHG-UHFFFAOYSA-N
XLogP0.72
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.16
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dimethyl-1,2,3-thiadiazole
CID 12913686
Dicyanothiadiazole
CID 23070555
5-(Fluoromethyl)-4-methylthiadiazole
CID 141237810
4-(Fluoromethyl)-5-methylthiadiazole
CID 141237826
5-(Trifluoromethyl)thiadiazole-4-carbonitrile
CID 151067685
5-Methylthiadiazole-4-carbonitrile
CID 89044498
4,5-Dimethylthiadiazole;ethane
CID 142911411
4,5-Dimethylthiadiazole;methane
CID 161174748
4-Ethylthiadiazole-5-carbonitrile
CID 65207634

Frequently Asked Questions

What is the IUPAC name of 4-methylthiadiazole-5-carbonitrile?
The IUPAC name of 4-methylthiadiazole-5-carbonitrile (CID 15906629) is 4-methylthiadiazole-5-carbonitrile.
What is the SMILES notation for 4-methylthiadiazole-5-carbonitrile?
The canonical SMILES for 4-methylthiadiazole-5-carbonitrile is Cc1nnsc1C#N.
What is the InChIKey of 4-methylthiadiazole-5-carbonitrile?
The InChIKey is SSRVAYBDOKEBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3S/c1-3-4(2-5)8-7-6-3/h1H3.
What are the key properties of 4-methylthiadiazole-5-carbonitrile?
4-methylthiadiazole-5-carbonitrile has a molecular weight of 125.16 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiadiazole-5-carbonitrile is sourced from PubChem (CID 15906629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).