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

C10H11N5S — CID 82221022

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile
SMILESCCCc1c(C#N)nnn1-c1nc(C)cs1
InChIInChI=1S/C10H11N5S/c1-3-4-9-8(5-11)13-14-15(9)10-12-7(2)6-16-10/h6H,3-4H2,1-2H3
InChIKeyUAFFZICIHXWIOY-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.86
Rot. Bonds3

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

1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile (PubChem CID 82221022) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile
PubChem CID82221022
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile
SMILESCCCc1c(C#N)nnn1-c1nc(C)cs1
InChIInChI=1S/C10H11N5S/c1-3-4-9-8(5-11)13-14-15(9)10-12-7(2)6-16-10/h6H,3-4H2,1-2H3
InChIKeyUAFFZICIHXWIOY-UHFFFAOYSA-N
XLogP1.86
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-1-(4-methyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 82221019
1-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile
CID 82221782
1-(3,5-dimethylphenyl)-5-propyltriazole-4-carbonitrile
CID 82198695
1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-5-propyltriazole-4-carbonitrile
CID 82221450
5-ethyl-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 82221199
1-(4-butylphenyl)-5-propyltriazole-4-carbonitrile
CID 82195914
5-(2-methylpropyl)-1-(4-phenyl-1,3-thiazol-2-yl)triazole-4-carbonitrile
CID 94962680
1-(3-fluorophenyl)-5-propyltriazole-4-carbonitrile
CID 82197005
1-(3,4-diethoxyphenyl)-5-propyltriazole-4-carbonitrile
CID 82200845
1-(2,5-dimethoxyphenyl)-5-propyltriazole-4-carbonitrile
CID 82198630
5-butyl-1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carbonitrile
CID 82221558
[1-(4-methyl-1,3-thiazol-2-yl)-5-(2-phenylethyl)triazol-4-yl]methanamine
CID 82221157

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile (CID 82221022) is 1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile is CCCc1c(C#N)nnn1-c1nc(C)cs1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile?
The InChIKey is UAFFZICIHXWIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-3-4-9-8(5-11)13-14-15(9)10-12-7(2)6-16-10/h6H,3-4H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile?
1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile has a molecular weight of 233.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-5-propyltriazole-4-carbonitrile is sourced from PubChem (CID 82221022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).