5-(methylamino)thiadiazole-4-carbonitrile

C4H4N4S — CID 639114

IUPAC5-(methylamino)thiadiazole-4-carbonitrile
SMILESCNc1snnc1C#N
InChIInChI=1S/C4H4N4S/c1-6-4-3(2-5)7-8-9-4/h6H,1H3
InChIKeySDPUEJHGJRPHPQ-UHFFFAOYSA-N
MW140.17 g/mol
LogP0.45
Rot. Bonds1

About 5-(methylamino)thiadiazole-4-carbonitrile

5-(methylamino)thiadiazole-4-carbonitrile (PubChem CID 639114) has the molecular formula C4H4N4S and a molecular weight of 140.17 g/mol. Its IUPAC name is 5-(methylamino)thiadiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(methylamino)thiadiazole-4-carbonitrile
PubChem CID639114
Molecular FormulaC4H4N4S
Molecular Weight140.17 g/mol
Exact Mass140.02
IUPAC Name5-(methylamino)thiadiazole-4-carbonitrile
SMILESCNc1snnc1C#N
InChIInChI=1S/C4H4N4S/c1-6-4-3(2-5)7-8-9-4/h6H,1H3
InChIKeySDPUEJHGJRPHPQ-UHFFFAOYSA-N
XLogP0.45
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Dimethylamino)thiadiazole-4-carbonitrile
CID 146169922
N-methyl-5-(methylamino)thiadiazole-4-carbothioamide
CID 15738897
Methyl(4-methyl(1,2,3-thiadiazol-5-yl))amine
CID 55274611

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)thiadiazole-4-carbonitrile?
The IUPAC name of 5-(methylamino)thiadiazole-4-carbonitrile (CID 639114) is 5-(methylamino)thiadiazole-4-carbonitrile.
What is the SMILES notation for 5-(methylamino)thiadiazole-4-carbonitrile?
The canonical SMILES for 5-(methylamino)thiadiazole-4-carbonitrile is CNc1snnc1C#N.
What is the InChIKey of 5-(methylamino)thiadiazole-4-carbonitrile?
The InChIKey is SDPUEJHGJRPHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4S/c1-6-4-3(2-5)7-8-9-4/h6H,1H3.
What are the key properties of 5-(methylamino)thiadiazole-4-carbonitrile?
5-(methylamino)thiadiazole-4-carbonitrile has a molecular weight of 140.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)thiadiazole-4-carbonitrile is sourced from PubChem (CID 639114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).