2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine

C14H16N4S — CID 96668673

IUPAC2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
SMILESCc1cc(C)c(C)c(-c2nc3scc(N)n3n2)c1C
InChIInChI=1S/C14H16N4S/c1-7-5-8(2)10(4)12(9(7)3)13-16-14-18(17-13)11(15)6-19-14/h5-6H,15H2,1-4H3
InChIKeyLCDKMDSUCWDLTC-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.27
Rot. Bonds1

About 2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine

2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine (PubChem CID 96668673) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine.

Molecular Properties

Compound Name2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
PubChem CID96668673
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
SMILESCc1cc(C)c(C)c(-c2nc3scc(N)n3n2)c1C
InChIInChI=1S/C14H16N4S/c1-7-5-8(2)10(4)12(9(7)3)13-16-14-18(17-13)11(15)6-19-14/h5-6H,15H2,1-4H3
InChIKeyLCDKMDSUCWDLTC-UHFFFAOYSA-N
XLogP3.27
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The IUPAC name of 2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine (CID 96668673) is 2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine.
What is the SMILES notation for 2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The canonical SMILES for 2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine is Cc1cc(C)c(C)c(-c2nc3scc(N)n3n2)c1C.
What is the InChIKey of 2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
The InChIKey is LCDKMDSUCWDLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-7-5-8(2)10(4)12(9(7)3)13-16-14-18(17-13)11(15)6-19-14/h5-6H,15H2,1-4H3.
What are the key properties of 2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine?
2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine has a molecular weight of 272.38 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5,6-tetramethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine is sourced from PubChem (CID 96668673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).