5-(2,4,6-trimethylphenyl)thiatriazole

C10H11N3S — CID 15121694

IUPAC5-(2,4,6-trimethylphenyl)thiatriazole
SMILESCc1cc(C)c(-c2nnns2)c(C)c1
InChIInChI=1S/C10H11N3S/c1-6-4-7(2)9(8(3)5-6)10-11-12-13-14-10/h4-5H,1-3H3
InChIKeyIJKAKJCFIWPCOK-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.53
Rot. Bonds1

About 5-(2,4,6-trimethylphenyl)thiatriazole

5-(2,4,6-trimethylphenyl)thiatriazole (PubChem CID 15121694) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 5-(2,4,6-trimethylphenyl)thiatriazole.

Molecular Properties

Compound Name5-(2,4,6-trimethylphenyl)thiatriazole
PubChem CID15121694
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name5-(2,4,6-trimethylphenyl)thiatriazole
SMILESCc1cc(C)c(-c2nnns2)c(C)c1
InChIInChI=1S/C10H11N3S/c1-6-4-7(2)9(8(3)5-6)10-11-12-13-14-10/h4-5H,1-3H3
InChIKeyIJKAKJCFIWPCOK-UHFFFAOYSA-N
XLogP2.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Methylphenyl)-(thiatriazol-5-yl)methanethione
CID 127036208
5-(4-Methylphenyl)thiatriazole
CID 15121693
2-(2,4-Dimethylphenyl)-5-phenyl-1,3,4-thiadiazole
CID 15269083
2-Bromo-5-(2-fluoro-4,6-dimethylphenyl)-1,3,4-thiadiazole
CID 106882638
5-Naphthalen-1-ylthiatriazole
CID 15121697
3-Butyl-5-(2,4,6-trimethylphenyl)triazaphosphole
CID 100917268
2-Chloro-5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazole
CID 14556375
2-(2,4,6-Trimethylphenyl)-1,3,4-thiadiazole
CID 19911431
2-(2,5-Dimethylphenyl)-5-phenyl-1,3,4-thiadiazole
CID 21042228
2-(4-Ethenyl-3,5-dimethylphenyl)-5-pentyl-1,3,4-thiadiazole
CID 58390924
2-(4-Ethenyl-2-methylphenyl)-5-pentyl-1,3,4-thiadiazole
CID 58390946
2-Bromo-5-(3,4-dimethylphenyl)-1,3,4-thiadiazole
CID 63384183

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trimethylphenyl)thiatriazole?
The IUPAC name of 5-(2,4,6-trimethylphenyl)thiatriazole (CID 15121694) is 5-(2,4,6-trimethylphenyl)thiatriazole.
What is the SMILES notation for 5-(2,4,6-trimethylphenyl)thiatriazole?
The canonical SMILES for 5-(2,4,6-trimethylphenyl)thiatriazole is Cc1cc(C)c(-c2nnns2)c(C)c1.
What is the InChIKey of 5-(2,4,6-trimethylphenyl)thiatriazole?
The InChIKey is IJKAKJCFIWPCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-6-4-7(2)9(8(3)5-6)10-11-12-13-14-10/h4-5H,1-3H3.
What are the key properties of 5-(2,4,6-trimethylphenyl)thiatriazole?
5-(2,4,6-trimethylphenyl)thiatriazole has a molecular weight of 205.29 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trimethylphenyl)thiatriazole is sourced from PubChem (CID 15121694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).