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

C12H13ClN4OS — CID 82020599

IUPAC[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
SMILESCOc1ccc(-c2cn3nc(CN)sc3n2)cc1.Cl
InChIInChI=1S/C12H12N4OS.ClH/c1-17-9-4-2-8(3-5-9)10-7-16-12(14-10)18-11(6-13)15-16;/h2-5,7H,6,13H2,1H3;1H
InChIKeyOEWOZGJZZBGTAM-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.35
Rot. Bonds3

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

[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride (PubChem CID 82020599) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is [6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
PubChem CID82020599
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
SMILESCOc1ccc(-c2cn3nc(CN)sc3n2)cc1.Cl
InChIInChI=1S/C12H12N4OS.ClH/c1-17-9-4-2-8(3-5-9)10-7-16-12(14-10)18-11(6-13)15-16;/h2-5,7H,6,13H2,1H3;1H
InChIKeyOEWOZGJZZBGTAM-UHFFFAOYSA-N
XLogP2.35
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
CID 82020618
2-methoxyethyl 6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-2-carboxylate
CID 154810945
3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
CID 28750683
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine;hydrochloride
CID 82020644
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
CID 28750647
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 82484599
2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
CID 82020637
2-butyl-6-(4-ethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644204
6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 703338
2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 9122841
6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646364

Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride (CID 82020599) is [6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride is COc1ccc(-c2cn3nc(CN)sc3n2)cc1.Cl.
What is the InChIKey of [6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride?
The InChIKey is OEWOZGJZZBGTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS.ClH/c1-17-9-4-2-8(3-5-9)10-7-16-12(14-10)18-11(6-13)15-16;/h2-5,7H,6,13H2,1H3;1H.
What are the key properties of [6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride?
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride has a molecular weight of 296.78 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 82020599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).