[2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine

C14H16N4S — CID 96668676

IUPAC[2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
SMILESCc1cc(C)c(-c2nc3scc(CN)n3n2)cc1C
InChIInChI=1S/C14H16N4S/c1-8-4-10(3)12(5-9(8)2)13-16-14-18(17-13)11(6-15)7-19-14/h4-5,7H,6,15H2,1-3H3
InChIKeyCJYUDKVDUJEZHQ-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.84
Rot. Bonds2

About [2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine

[2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine (PubChem CID 96668676) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is [2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
PubChem CID96668676
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name[2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine
SMILESCc1cc(C)c(-c2nc3scc(CN)n3n2)cc1C
InChIInChI=1S/C14H16N4S/c1-8-4-10(3)12(5-9(8)2)13-16-14-18(17-13)11(6-15)7-19-14/h4-5,7H,6,15H2,1-3H3
InChIKeyCJYUDKVDUJEZHQ-UHFFFAOYSA-N
XLogP2.84
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine?
The IUPAC name of [2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine (CID 96668676) is [2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine.
What is the SMILES notation for [2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine?
The canonical SMILES for [2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine is Cc1cc(C)c(-c2nc3scc(CN)n3n2)cc1C.
What is the InChIKey of [2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine?
The InChIKey is CJYUDKVDUJEZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-8-4-10(3)12(5-9(8)2)13-16-14-18(17-13)11(6-15)7-19-14/h4-5,7H,6,15H2,1-3H3.
What are the key properties of [2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine?
[2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine has a molecular weight of 272.38 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4,5-trimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]methanamine is sourced from PubChem (CID 96668676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).