3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile

C11H10N4S — CID 107649329

IUPAC3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile
SMILESCC(Nc1cnns1)c1cccc(C#N)c1
InChIInChI=1S/C11H10N4S/c1-8(14-11-7-13-15-16-11)10-4-2-3-9(5-10)6-12/h2-5,7-8,14H,1H3
InChIKeyZIGITRFQZQNEOG-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.58
Rot. Bonds3

About 3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile

3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile (PubChem CID 107649329) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile
PubChem CID107649329
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile
SMILESCC(Nc1cnns1)c1cccc(C#N)c1
InChIInChI=1S/C11H10N4S/c1-8(14-11-7-13-15-16-11)10-4-2-3-9(5-10)6-12/h2-5,7-8,14H,1H3
InChIKeyZIGITRFQZQNEOG-UHFFFAOYSA-N
XLogP2.58
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile
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3-(1-hydrazinylethyl)benzonitrile
CID 63990931
3-[1-(2,4,6-trimethylanilino)ethyl]benzonitrile
CID 60924468
3-[1-(cyanomethylamino)ethyl]benzonitrile
CID 130736059
3-[1-(1-phenylethylamino)ethyl]benzonitrile
CID 43755971
3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
CID 43782624
3-[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzonitrile
CID 107647770
N-[1-(9H-fluoren-2-yl)ethyl]thiadiazol-5-amine
CID 107649387
3-[(1R)-1-(ethylamino)ethyl]benzonitrile
CID 93280862
3-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81364071
3-[1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 133333085

Frequently Asked Questions

What is the IUPAC name of 3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile?
The IUPAC name of 3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile (CID 107649329) is 3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile.
What is the SMILES notation for 3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile?
The canonical SMILES for 3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile is CC(Nc1cnns1)c1cccc(C#N)c1.
What is the InChIKey of 3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile?
The InChIKey is ZIGITRFQZQNEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-8(14-11-7-13-15-16-11)10-4-2-3-9(5-10)6-12/h2-5,7-8,14H,1H3.
What are the key properties of 3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile?
3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile has a molecular weight of 230.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile is sourced from PubChem (CID 107649329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).