5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile

C14H11N5S — CID 82221199

IUPAC5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
SMILESCCc1c(C#N)nnn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H11N5S/c1-2-13-11(8-15)17-18-19(13)14-16-12(9-20-14)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
InChIKeyOPVNZXUIPWPACS-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.82
Rot. Bonds3

About 5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile

5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile (PubChem CID 82221199) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile.

Molecular Properties

Compound Name5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
PubChem CID82221199
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
SMILESCCc1c(C#N)nnn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C14H11N5S/c1-2-13-11(8-15)17-18-19(13)14-16-12(9-20-14)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
InChIKeyOPVNZXUIPWPACS-UHFFFAOYSA-N
XLogP2.82
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methylpropyl)-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 94962680
1-(4-phenyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbaldehyde
CID 82221203
1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile
CID 82221022
[1-(4-phenyl-1,3-thiazol-2-yl)-5-propan-2-yltriazol-4-yl]methanol
CID 82221204
[5-cyclobutyl-1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 94962689
5-(phenoxymethyl)-1-(1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 82220860
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
[1-(4-phenyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82221219
tricopper;tetrakis(2-(3,5-dimethylpyrazol-1-yl)-4-phenyl-1,3-thiazole);hexanitrate
CID 139176827
3-[[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]benzonitrile
CID 50964149
ethyl 1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 3837157

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile?
The IUPAC name of 5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile (CID 82221199) is 5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile.
What is the SMILES notation for 5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile?
The canonical SMILES for 5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile is CCc1c(C#N)nnn1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile?
The InChIKey is OPVNZXUIPWPACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-2-13-11(8-15)17-18-19(13)14-16-12(9-20-14)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3.
What are the key properties of 5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile?
5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile has a molecular weight of 281.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile is sourced from PubChem (CID 82221199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).