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

C13H15ClN4OS — CID 82020618

IUPAC1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
SMILESCOc1ccc(-c2cn3nc(C(C)N)sc3n2)cc1.Cl
InChIInChI=1S/C13H14N4OS.ClH/c1-8(14)12-16-17-7-11(15-13(17)19-12)9-3-5-10(18-2)6-4-9;/h3-8H,14H2,1-2H3;1H
InChIKeyRORIZGRMGXXBDF-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.91
Rot. Bonds3

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

1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride (PubChem CID 82020618) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
PubChem CID82020618
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
SMILESCOc1ccc(-c2cn3nc(C(C)N)sc3n2)cc1.Cl
InChIInChI=1S/C13H14N4OS.ClH/c1-8(14)12-16-17-7-11(15-13(17)19-12)9-3-5-10(18-2)6-4-9;/h3-8H,14H2,1-2H3;1H
InChIKeyRORIZGRMGXXBDF-UHFFFAOYSA-N
XLogP2.91
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
CID 82020654
1-[6-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
CID 82020609
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
CID 82020599
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
CID 82020630
2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209493
2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate
CID 154810945
2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209914
2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159277
2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644204
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 82484599
3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
CID 28750683
6-(4-nitrophenyl)-2-pentan-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209503

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride (CID 82020618) is 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride is COc1ccc(-c2cn3nc(C(C)N)sc3n2)cc1.Cl.
What is the InChIKey of 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is RORIZGRMGXXBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS.ClH/c1-8(14)12-16-17-7-11(15-13(17)19-12)9-3-5-10(18-2)6-4-9;/h3-8H,14H2,1-2H3;1H.
What are the key properties of 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride?
1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride has a molecular weight of 310.81 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 82020618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).