2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine

C13H14N4OS — CID 28808717

IUPAC2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine
SMILESCOc1cccc(-c2nn3cc(CCN)nc3s2)c1
InChIInChI=1S/C13H14N4OS/c1-18-11-4-2-3-9(7-11)12-16-17-8-10(5-6-14)15-13(17)19-12/h2-4,7-8H,5-6,14H2,1H3
InChIKeyXFOLDWOELXMTDW-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.97
Rot. Bonds4

About 2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine

2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine (PubChem CID 28808717) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine
PubChem CID28808717
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine
SMILESCOc1cccc(-c2nn3cc(CCN)nc3s2)c1
InChIInChI=1S/C13H14N4OS/c1-18-11-4-2-3-9(7-11)12-16-17-8-10(5-6-14)15-13(17)19-12/h2-4,7-8H,5-6,14H2,1H3
InChIKeyXFOLDWOELXMTDW-UHFFFAOYSA-N
XLogP1.97
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 82484599
2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 98018913
3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
CID 28750683
2-(3-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-amine
CID 82484613
[2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 96669638
2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159277
[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219724
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 9122841
2-[2-(3-methoxyphenyl)-4-pyridin-3-yl-1,3-thiazol-5-yl]ethanamine
CID 93216550
2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 155534946
[4-tert-butyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82439181

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine?
The IUPAC name of 2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine (CID 28808717) is 2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine?
The canonical SMILES for 2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine is COc1cccc(-c2nn3cc(CCN)nc3s2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine?
The InChIKey is XFOLDWOELXMTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-18-11-4-2-3-9(7-11)12-16-17-8-10(5-6-14)15-13(17)19-12/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of 2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine?
2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine has a molecular weight of 274.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine is sourced from PubChem (CID 28808717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).