6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole

C12H8F3N3OS — CID 3006244

IUPAC6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2cn3nc(C(F)(F)F)sc3n2)cc1
InChIInChI=1S/C12H8F3N3OS/c1-19-8-4-2-7(3-5-8)9-6-18-11(16-9)20-10(17-18)12(13,14)15/h2-6H,1H3
InChIKeyFTNHMTKQDPGOAJ-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.49
Rot. Bonds2

About 6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole

6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 3006244) has the molecular formula C12H8F3N3OS and a molecular weight of 299.28 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID3006244
Molecular FormulaC12H8F3N3OS
Molecular Weight299.28 g/mol
Exact Mass299.03
IUPAC Name6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2cn3nc(C(F)(F)F)sc3n2)cc1
InChIInChI=1S/C12H8F3N3OS/c1-19-8-4-2-7(3-5-8)9-6-18-11(16-9)20-10(17-18)12(13,14)15/h2-6H,1H3
InChIKeyFTNHMTKQDPGOAJ-UHFFFAOYSA-N
XLogP3.49
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-(1H-pyrazol-1-yl)-1,3-thiazol-4-yl]phenyl ether
CID 1481752
6-(4-Methoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 934157
6-(4-Ethoxyphenyl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 936290
6-(4-Methoxyphenyl)imidazo[2,1-b]thiazole
CID 369507
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
(3S,4R)-3-fluoro-1-[5-(4-fluoro-2-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine
CID 156274245
1,2,4-Triazolo(4,3-b)(1,2,4)triazine, 7-(4-methoxyphenyl)-
CID 3054503
6-(4-Methoxyphenyl)-7-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-7-ium
CID 911689
5-(4-methoxyphenyl)-7-phenyl-3,7-dihydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium
CID 913304
6-(4-Ethoxyphenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 7539874

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 3006244) is 6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole is COc1ccc(-c2cn3nc(C(F)(F)F)sc3n2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is FTNHMTKQDPGOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3OS/c1-19-8-4-2-7(3-5-8)9-6-18-11(16-9)20-10(17-18)12(13,14)15/h2-6H,1H3.
What are the key properties of 6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 299.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 3006244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).