3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine

C15H18N4OS — CID 82166846

IUPAC3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine
SMILESCCOc1ccccc1-c1csc2nnc(CCCN)n12
InChIInChI=1S/C15H18N4OS/c1-2-20-13-7-4-3-6-11(13)12-10-21-15-18-17-14(19(12)15)8-5-9-16/h3-4,6-7,10H,2,5,8-9,16H2,1H3
InChIKeyPZHCVDMTVKIPTR-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.75
Rot. Bonds6

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

3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine (PubChem CID 82166846) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine
PubChem CID82166846
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine
SMILESCCOc1ccccc1-c1csc2nnc(CCCN)n12
InChIInChI=1S/C15H18N4OS/c1-2-20-13-7-4-3-6-11(13)12-10-21-15-18-17-14(19(12)15)8-5-9-16/h3-4,6-7,10H,2,5,8-9,16H2,1H3
InChIKeyPZHCVDMTVKIPTR-UHFFFAOYSA-N
XLogP2.75
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-carboxylic acid
CID 82166848
3-(2-ethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068640
5-[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]pentan-1-amine
CID 82166818
2-(5-thiophen-2-yl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)ethanamine
CID 82166922
3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198776
3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 115534345
3-(2-ethoxyphenyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82035864
1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
CID 82166962
2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
CID 82166795
3-[5-(2-ethoxyphenyl)tetrazol-1-yl]propan-1-amine
CID 115534182
2-[3-(2-ethoxyphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195240
ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485086

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine (CID 82166846) is 3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine is CCOc1ccccc1-c1csc2nnc(CCCN)n12.
What is the InChIKey of 3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine?
The InChIKey is PZHCVDMTVKIPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-20-13-7-4-3-6-11(13)12-10-21-15-18-17-14(19(12)15)8-5-9-16/h3-4,6-7,10H,2,5,8-9,16H2,1H3.
What are the key properties of 3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine?
3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine has a molecular weight of 302.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethoxyphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propan-1-amine is sourced from PubChem (CID 82166846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).