2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine

C14H16N4S — CID 82166795

IUPAC2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
SMILESCc1ccc(-c2csc3nnc(CCN)n23)cc1C
InChIInChI=1S/C14H16N4S/c1-9-3-4-11(7-10(9)2)12-8-19-14-17-16-13(5-6-15)18(12)14/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyIZFVIQPPSJBYFB-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.58
Rot. Bonds3

About 2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine

2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine (PubChem CID 82166795) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
PubChem CID82166795
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
SMILESCc1ccc(-c2csc3nnc(CCN)n23)cc1C
InChIInChI=1S/C14H16N4S/c1-9-3-4-11(7-10(9)2)12-8-19-14-17-16-13(5-6-15)18(12)14/h3-4,7-8H,5-6,15H2,1-2H3
InChIKeyIZFVIQPPSJBYFB-UHFFFAOYSA-N
XLogP2.58
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine
CID 82166922
5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine
CID 82166818
2-[6-(3,4-dimethylphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 93210815
2-[3-(3,4-dimethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062331
2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195092
[5-(3-nitrophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]methanamine
CID 82105489
2-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]acetic acid
CID 82166820
2-[[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
CID 2241516
N-(3-chloro-4-methylphenyl)-5-(4-fluoro-3-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-amine
CID 71539833
2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine
CID 98022087
2-[6-tert-butyl-3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062401
3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine
CID 82166846

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine (CID 82166795) is 2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine is Cc1ccc(-c2csc3nnc(CCN)n23)cc1C.
What is the InChIKey of 2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine?
The InChIKey is IZFVIQPPSJBYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-9-3-4-11(7-10(9)2)12-8-19-14-17-16-13(5-6-15)18(12)14/h3-4,7-8H,5-6,15H2,1-2H3.
What are the key properties of 2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine?
2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine has a molecular weight of 272.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine is sourced from PubChem (CID 82166795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).