2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole

C14H12N4O2S — CID 118068479

IUPAC2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole
SMILESCOc1nn2cc(-c3nc4cc(C)c(C)cc4o3)nc2s1
InChIInChI=1S/C14H12N4O2S/c1-7-4-9-11(5-8(7)2)20-12(15-9)10-6-18-13(16-10)21-14(17-18)19-3/h4-6H,1-3H3
InChIKeyQMVXXZNZOSLWBX-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.22
Rot. Bonds2

About 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole

2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole (PubChem CID 118068479) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole
PubChem CID118068479
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole
SMILESCOc1nn2cc(-c3nc4cc(C)c(C)cc4o3)nc2s1
InChIInChI=1S/C14H12N4O2S/c1-7-4-9-11(5-8(7)2)20-12(15-9)10-6-18-13(16-10)21-14(17-18)19-3/h4-6H,1-3H3
InChIKeyQMVXXZNZOSLWBX-UHFFFAOYSA-N
XLogP3.22
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-methyl-1,3-benzoxazole
CID 118068473
6-(4,7-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068468
6-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068438
6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 126729364
6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 147244081
6-imidazo[1,2-a]pyridin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 152722237
4-methoxy-6-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1H-pyrrolo[1,2-b]pyridazin-2-one
CID 153363243
6-methoxy-N-(2-methoxyethyl)-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-N-methyl-1-benzofuran-4-amine
CID 118068377
2-(3,5-dichloro-4-methoxyphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 91674243
2-methoxy-6-[6-methoxy-4-[(3-methylphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068378
6-(1-benzothiophen-3-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 130402836
2-methoxy-6-[6-methoxy-4-[(2-phenylmethoxyphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 155544936

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole?
The IUPAC name of 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole (CID 118068479) is 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole.
What is the SMILES notation for 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole?
The canonical SMILES for 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole is COc1nn2cc(-c3nc4cc(C)c(C)cc4o3)nc2s1.
What is the InChIKey of 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole?
The InChIKey is QMVXXZNZOSLWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-7-4-9-11(5-8(7)2)20-12(15-9)10-6-18-13(16-10)21-14(17-18)19-3/h4-6H,1-3H3.
What are the key properties of 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole?
2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole has a molecular weight of 300.34 g/mol, XLogP of 3.22, 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)-5,6-dimethyl-1,3-benzoxazole is sourced from PubChem (CID 118068479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).