2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole

C13H10N4O2S — CID 118068473

IUPAC2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole
SMILESCOc1nn2cc(-c3nc4c(C)cccc4o3)nc2s1
InChIInChI=1S/C13H10N4O2S/c1-7-4-3-5-9-10(7)15-11(19-9)8-6-17-12(14-8)20-13(16-17)18-2/h3-6H,1-2H3
InChIKeyLIWMNSQIQQBDDH-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.92
Rot. Bonds2

About 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole

2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole (PubChem CID 118068473) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole
PubChem CID118068473
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole
SMILESCOc1nn2cc(-c3nc4c(C)cccc4o3)nc2s1
InChIInChI=1S/C13H10N4O2S/c1-7-4-3-5-9-10(7)15-11(19-9)8-6-17-12(14-8)20-13(16-17)18-2/h3-6H,1-2H3
InChIKeyLIWMNSQIQQBDDH-UHFFFAOYSA-N
XLogP2.92
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole
CID 118068479
6-(4,7-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068468
6-imidazo[1,2-a]pyridin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 152722237
4-[(4-chlorophenyl)methoxy]-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzoxazole
CID 118068503
6-(4,6-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068442
6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 130402836
6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 147244081
2-[4-(4-methyl-1,3-benzoxazol-2-yl)imidazol-1-yl]ethanamine
CID 107496504
5-ethyl-3-(4-methyl-1,3-benzoxazol-2-yl)thiophen-2-amine
CID 63615167
6-[4-[(3-iodophenyl)methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 122521872
2-methoxy-6-[6-methoxy-4-[[3-(2-phenylethyl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155515625
6-[4-[[3-[(3-chloro-4-methylphenyl)methoxy]phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068608

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole?
The IUPAC name of 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole (CID 118068473) is 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole is COc1nn2cc(-c3nc4c(C)cccc4o3)nc2s1.
What is the InChIKey of 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole?
The InChIKey is LIWMNSQIQQBDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-7-4-3-5-9-10(7)15-11(19-9)8-6-17-12(14-8)20-13(16-17)18-2/h3-6H,1-2H3.
What are the key properties of 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole?
2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole has a molecular weight of 286.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole is sourced from PubChem (CID 118068473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).