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

C12H12N4OS — CID 82484599

IUPAC[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
SMILESCOc1ccc(-c2nn3cc(CN)nc3s2)cc1
InChIInChI=1S/C12H12N4OS/c1-17-10-4-2-8(3-5-10)11-15-16-7-9(6-13)14-12(16)18-11/h2-5,7H,6,13H2,1H3
InChIKeyZDAKMIPJDGPMIA-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.93
Rot. Bonds3

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

[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine (PubChem CID 82484599) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
PubChem CID82484599
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
SMILESCOc1ccc(-c2nn3cc(CN)nc3s2)cc1
InChIInChI=1S/C12H12N4OS/c1-17-10-4-2-8(3-5-10)11-15-16-7-9(6-13)14-12(16)18-11/h2-5,7H,6,13H2,1H3
InChIKeyZDAKMIPJDGPMIA-UHFFFAOYSA-N
XLogP1.93
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 82478593
[2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 96669638
4-[6-(aminomethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N-dimethylaniline
CID 96670698
[2-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 98020365
2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 28808717
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]methanamine;hydrochloride
CID 82020599
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrochloride
CID 82020552
(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methanamine;hydrate;dihydrochloride
CID 47000658
3-ethyl-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2991736
6-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5304612
2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 98018913
5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 692882

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
The IUPAC name of [2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine (CID 82484599) is [2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine.
What is the SMILES notation for [2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
The canonical SMILES for [2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine is COc1ccc(-c2nn3cc(CN)nc3s2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
The InChIKey is ZDAKMIPJDGPMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-17-10-4-2-8(3-5-10)11-15-16-7-9(6-13)14-12(16)18-11/h2-5,7H,6,13H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine has a molecular weight of 260.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine is sourced from PubChem (CID 82484599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).