4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile

C13H15N5S — CID 62981587

IUPAC4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile
SMILESCCNc1snnc1CN(C)c1ccc(C#N)cc1
InChIInChI=1S/C13H15N5S/c1-3-15-13-12(16-17-19-13)9-18(2)11-6-4-10(8-14)5-7-11/h4-7,15H,3,9H2,1-2H3
InChIKeyUCQRYKSLSJOBDA-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.48
Rot. Bonds5

About 4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile

4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile (PubChem CID 62981587) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile.

Molecular Properties

Compound Name4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile
PubChem CID62981587
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile
SMILESCCNc1snnc1CN(C)c1ccc(C#N)cc1
InChIInChI=1S/C13H15N5S/c1-3-15-13-12(16-17-19-13)9-18(2)11-6-4-10(8-14)5-7-11/h4-7,15H,3,9H2,1-2H3
InChIKeyUCQRYKSLSJOBDA-UHFFFAOYSA-N
XLogP2.48
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62981588
3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]benzonitrile
CID 62982980
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile
CID 114652327
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936
3-[[5-(ethylamino)thiadiazol-4-yl]methoxy]-5-methoxybenzonitrile
CID 103568298
N-ethyl-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiadiazol-5-amine
CID 63836308
N-ethyl-4-[(N-ethyl-3-fluoroanilino)methyl]thiadiazol-5-amine
CID 62208555
4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]benzonitrile
CID 107042893
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62183868
4-[methyl(1,3-thiazol-2-ylmethyl)amino]benzonitrile
CID 79214308
4-[methyl-[[6-(propylamino)-3-pyridinyl]methyl]amino]benzonitrile
CID 62981948

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile?
The IUPAC name of 4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile (CID 62981587) is 4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile.
What is the SMILES notation for 4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile?
The canonical SMILES for 4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile is CCNc1snnc1CN(C)c1ccc(C#N)cc1.
What is the InChIKey of 4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile?
The InChIKey is UCQRYKSLSJOBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-3-15-13-12(16-17-19-13)9-18(2)11-6-4-10(8-14)5-7-11/h4-7,15H,3,9H2,1-2H3.
What are the key properties of 4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile?
4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile has a molecular weight of 273.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(ethylamino)thiadiazol-4-yl]methyl-methylamino]benzonitrile is sourced from PubChem (CID 62981587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).