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

C14H16N4OS — CID 28750683

IUPAC3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
SMILESCOc1cccc(-c2cn3nc(CCCN)sc3n2)c1
InChIInChI=1S/C14H16N4OS/c1-19-11-5-2-4-10(8-11)12-9-18-14(16-12)20-13(17-18)6-3-7-15/h2,4-5,8-9H,3,6-7,15H2,1H3
InChIKeyJLHHOECXHKGMTE-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.36
Rot. Bonds5

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

3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine (PubChem CID 28750683) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
PubChem CID28750683
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
SMILESCOc1cccc(-c2cn3nc(CCCN)sc3n2)c1
InChIInChI=1S/C14H16N4OS/c1-19-11-5-2-4-10(8-11)12-9-18-14(16-12)20-13(17-18)6-3-7-15/h2,4-5,8-9H,3,6-7,15H2,1H3
InChIKeyJLHHOECXHKGMTE-UHFFFAOYSA-N
XLogP2.36
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 9122841
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159277
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
CID 82020599
2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
CID 82020637
2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 28808717
4-[4-(3-methoxyphenyl)imidazol-1-yl]butan-1-amine
CID 18694790
6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 138581301
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
CID 28750647
6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-amine
CID 82479019
2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
CID 28750643
6-(3,4-dichlorophenyl)-2-hexylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209455

Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine?
The IUPAC name of 3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine (CID 28750683) is 3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine is COc1cccc(-c2cn3nc(CCCN)sc3n2)c1.
What is the InChIKey of 3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine?
The InChIKey is JLHHOECXHKGMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-19-11-5-2-4-10(8-11)12-9-18-14(16-12)20-13(17-18)6-3-7-15/h2,4-5,8-9H,3,6-7,15H2,1H3.
What are the key properties of 3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine?
3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine has a molecular weight of 288.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 28750683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).