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

C15H18N4OS — CID 82166962

IUPAC1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
SMILESCCOc1ccc(C)cc1-c1csc2nnc(C(C)N)n12
InChIInChI=1S/C15H18N4OS/c1-4-20-13-6-5-9(2)7-11(13)12-8-21-15-18-17-14(10(3)16)19(12)15/h5-8,10H,4,16H2,1-3H3
InChIKeyMYCMALZGCAPHFY-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.18
Rot. Bonds4

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

1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine (PubChem CID 82166962) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
PubChem CID82166962
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
SMILESCCOc1ccc(C)cc1-c1csc2nnc(C(C)N)n12
InChIInChI=1S/C15H18N4OS/c1-4-20-13-6-5-9(2)7-11(13)12-8-21-15-18-17-14(10(3)16)19(12)15/h5-8,10H,4,16H2,1-3H3
InChIKeyMYCMALZGCAPHFY-UHFFFAOYSA-N
XLogP3.18
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine with MolForge

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Related Compounds

2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
3-(2-ethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068640
1-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4308987
4-(2-ethoxy-5-methylphenyl)-1H-pyrazol-5-amine
CID 117309607
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(1R)-1-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methylphenyl]ethanamine
CID 55190625
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959
2-(2-ethoxy-5-methylphenyl)-5-ethyl-1,3-thiazole
CID 178133907
cyclooctyl-(2-ethoxy-5-methylphenyl)methanamine
CID 65018902
1-(2-ethoxy-4-methylphenyl)propan-2-amine
CID 55254147
4-amino-4-(2-ethoxy-5-methylphenyl)butanamide
CID 62301820
(1R)-1-(2-but-2-ynoxy-5-methylphenyl)ethanamine
CID 63367180

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine?
The IUPAC name of 1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine (CID 82166962) is 1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine?
The canonical SMILES for 1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine is CCOc1ccc(C)cc1-c1csc2nnc(C(C)N)n12.
What is the InChIKey of 1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine?
The InChIKey is MYCMALZGCAPHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-4-20-13-6-5-9(2)7-11(13)12-8-21-15-18-17-14(10(3)16)19(12)15/h5-8,10H,4,16H2,1-3H3.
What are the key properties of 1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine?
1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine has a molecular weight of 302.40 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethoxy-5-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine is sourced from PubChem (CID 82166962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).