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

C17H13N3O3S — CID 71454617

IUPAC4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2nn3cc(-c4ccc(O)cc4O)nc3s2)cc1
InChIInChI=1S/C17H13N3O3S/c1-23-12-5-2-10(3-6-12)16-19-20-9-14(18-17(20)24-16)13-7-4-11(21)8-15(13)22/h2-9,21-22H,1H3
InChIKeyREOBRAANIKAJLR-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.54
Rot. Bonds3

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

4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol (PubChem CID 71454617) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol
PubChem CID71454617
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol
SMILESCOc1ccc(-c2nn3cc(-c4ccc(O)cc4O)nc3s2)cc1
InChIInChI=1S/C17H13N3O3S/c1-23-12-5-2-10(3-6-12)16-19-20-9-14(18-17(20)24-16)13-7-4-11(21)8-15(13)22/h2-9,21-22H,1H3
InChIKeyREOBRAANIKAJLR-UHFFFAOYSA-N
XLogP3.54
TPSA79.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methoxy-6-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 132051232
6-[4-(Difluoromethoxy)phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 132051310
2-Methoxy-6-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 132051314
6-(4-Methoxyphenyl)-2-(trifluoromethyl)imidazo(2,1-b)(1,3,4)thiadiazole
CID 3006244
6-(4-Ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 7539874
6-(3-Methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16014731
6(4Isopropoxyphenyl)2methylimidazo[2,1b][1,3,4]thiadiazole
CID 16014733
3-[2-(4-Methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]aniline
CID 71460052
4-[6-(4-Methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]benzenesulfonamide
CID 132547284
N-butyl-N-[3-[4-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]propyl]butan-1-amine;dihydrochloride
CID 14201472
5-(2,6-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,2,4-triazin-3-amine
CID 68564912
4-(2-Methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenol
CID 132051241

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol (CID 71454617) is 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol is COc1ccc(-c2nn3cc(-c4ccc(O)cc4O)nc3s2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol?
The InChIKey is REOBRAANIKAJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c1-23-12-5-2-10(3-6-12)16-19-20-9-14(18-17(20)24-16)13-7-4-11(21)8-15(13)22/h2-9,21-22H,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol?
4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol has a molecular weight of 339.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]benzene-1,3-diol is sourced from PubChem (CID 71454617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).