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

C13H14N4OS — CID 96669638

IUPAC[2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
SMILESCOc1ccc(-c2nn3cc(CN)nc3s2)cc1C
InChIInChI=1S/C13H14N4OS/c1-8-5-9(3-4-11(8)18-2)12-16-17-7-10(6-14)15-13(17)19-12/h3-5,7H,6,14H2,1-2H3
InChIKeyPBNLIUNKVGDEGT-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.23
Rot. Bonds3

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

[2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine (PubChem CID 96669638) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is [2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
PubChem CID96669638
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name[2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
SMILESCOc1ccc(-c2nn3cc(CN)nc3s2)cc1C
InChIInChI=1S/C13H14N4OS/c1-8-5-9(3-4-11(8)18-2)12-16-17-7-10(6-14)15-13(17)19-12/h3-5,7H,6,14H2,1-2H3
InChIKeyPBNLIUNKVGDEGT-UHFFFAOYSA-N
XLogP2.23
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.23
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-(4-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 82478593
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
(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
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84608173
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
[6-(4-methoxy-3-methylphenyl)-2-methyl-3-pyridinyl]methanamine
CID 82453407
[5-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82135501
2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 67283619

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
The IUPAC name of [2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine (CID 96669638) is [2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine.
What is the SMILES notation for [2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
The canonical SMILES for [2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine is COc1ccc(-c2nn3cc(CN)nc3s2)cc1C.
What is the InChIKey of [2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
The InChIKey is PBNLIUNKVGDEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-8-5-9(3-4-11(8)18-2)12-16-17-7-10(6-14)15-13(17)19-12/h3-5,7H,6,14H2,1-2H3.
What are the key properties of [2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine?
[2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine has a molecular weight of 274.35 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine is sourced from PubChem (CID 96669638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).