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

C9H9N5S — CID 82221019

IUPAC5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
SMILESCCc1c(C#N)nnn1-c1nc(C)cs1
InChIInChI=1S/C9H9N5S/c1-3-8-7(4-10)12-13-14(8)9-11-6(2)5-15-9/h5H,3H2,1-2H3
InChIKeyJOLSBQZPKAZSRY-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.47
Rot. Bonds2

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

5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile (PubChem CID 82221019) has the molecular formula C9H9N5S and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile.

Molecular Properties

Compound Name5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
PubChem CID82221019
Molecular FormulaC9H9N5S
Molecular Weight219.27 g/mol
Exact Mass219.06
IUPAC Name5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
SMILESCCc1c(C#N)nnn1-c1nc(C)cs1
InChIInChI=1S/C9H9N5S/c1-3-8-7(4-10)12-13-14(8)9-11-6(2)5-15-9/h5H,3H2,1-2H3
InChIKeyJOLSBQZPKAZSRY-UHFFFAOYSA-N
XLogP1.47
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile
CID 82221022
5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 82221199
5-(2-methylpropyl)-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 94962680
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(2-methylpropyl)triazole-4-carbonitrile
CID 82221800
5-methyl-1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82586281
[1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine
CID 82221157
1-(4-methyl-1,3-thiazol-2-yl)-5-pentan-3-yltriazole-4-carbaldehyde
CID 82221035
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(phenoxymethyl)triazole-4-carbonitrile
CID 94962966
1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-propyltriazole-4-carbonitrile
CID 82221450
[5-cyclopropyl-1-(4-methyl-1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82221036
1-(3,5-dimethylphenyl)-5-propyltriazole-4-carbonitrile
CID 82198695
1-(4-ethylphenyl)-5-methyltriazole-4-carbonitrile
CID 82198355

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile?
The IUPAC name of 5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile (CID 82221019) is 5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile.
What is the SMILES notation for 5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile?
The canonical SMILES for 5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile is CCc1c(C#N)nnn1-c1nc(C)cs1.
What is the InChIKey of 5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile?
The InChIKey is JOLSBQZPKAZSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5S/c1-3-8-7(4-10)12-13-14(8)9-11-6(2)5-15-9/h5H,3H2,1-2H3.
What are the key properties of 5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile?
5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile has a molecular weight of 219.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile is sourced from PubChem (CID 82221019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).