1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile

C8H10N4S — CID 130619235

IUPAC1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCc1nsc(NCC2(C#N)CC2)n1
InChIInChI=1S/C8H10N4S/c1-6-11-7(13-12-6)10-5-8(4-9)2-3-8/h2-3,5H2,1H3,(H,10,11,12)
InChIKeyGZZATEIRBUENGX-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.56
Rot. Bonds3

About 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile

1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 130619235) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile
PubChem CID130619235
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile
SMILESCc1nsc(NCC2(C#N)CC2)n1
InChIInChI=1S/C8H10N4S/c1-6-11-7(13-12-6)10-5-8(4-9)2-3-8/h2-3,5H2,1H3,(H,10,11,12)
InChIKeyGZZATEIRBUENGX-UHFFFAOYSA-N
XLogP1.56
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile (CID 130619235) is 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile is Cc1nsc(NCC2(C#N)CC2)n1.
What is the InChIKey of 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is GZZATEIRBUENGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-6-11-7(13-12-6)10-5-8(4-9)2-3-8/h2-3,5H2,1H3,(H,10,11,12).
What are the key properties of 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile?
1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 194.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 130619235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).