5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine

C13H14N4S — CID 82483652

IUPAC5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
SMILESCc1cc(C)c(-c2csc3nnc(N)n23)cc1C
InChIInChI=1S/C13H14N4S/c1-7-4-9(3)10(5-8(7)2)11-6-18-13-16-15-12(14)17(11)13/h4-6H,1-3H3,(H2,14,15)
InChIKeyGTJPRQPNEGNKMT-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.97
Rot. Bonds1

About 5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine

5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine (PubChem CID 82483652) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine.

Molecular Properties

Compound Name5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
PubChem CID82483652
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
SMILESCc1cc(C)c(-c2csc3nnc(N)n23)cc1C
InChIInChI=1S/C13H14N4S/c1-7-4-9(3)10(5-8(7)2)11-6-18-13-16-15-12(14)17(11)13/h4-6H,1-3H3,(H2,14,15)
InChIKeyGTJPRQPNEGNKMT-UHFFFAOYSA-N
XLogP2.97
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4,5-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82483165
5-(1H-pyrrol-3-yl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
CID 82470108
[3-(2,4,5-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 96668174
2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
CID 82166795
4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 39101233
[2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
CID 96668676
1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
CID 82166962
3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4685203
4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
CID 82166619
3-(5-tert-butyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-methoxyaniline
CID 82166687
7,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-amine
CID 2771053

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
The IUPAC name of 5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine (CID 82483652) is 5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine.
What is the SMILES notation for 5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
The canonical SMILES for 5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine is Cc1cc(C)c(-c2csc3nnc(N)n23)cc1C.
What is the InChIKey of 5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
The InChIKey is GTJPRQPNEGNKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-7-4-9(3)10(5-8(7)2)11-6-18-13-16-15-12(14)17(11)13/h4-6H,1-3H3,(H2,14,15).
What are the key properties of 5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine?
5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine has a molecular weight of 258.35 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,5-trimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine is sourced from PubChem (CID 82483652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).