2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole

C13H7F3N4O2S2 — CID 118070677

IUPAC2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole
SMILESCOc1nn2cc(-c3nc4c(OC(F)(F)F)cccc4s3)nc2s1
InChIInChI=1S/C13H7F3N4O2S2/c1-21-12-19-20-5-6(17-11(20)24-12)10-18-9-7(22-13(14,15)16)3-2-4-8(9)23-10/h2-5H,1H3
InChIKeyKXAWTRHSKAVPGU-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.97
Rot. Bonds3

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

2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole (PubChem CID 118070677) has the molecular formula C13H7F3N4O2S2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole
PubChem CID118070677
Molecular FormulaC13H7F3N4O2S2
Molecular Weight372.35 g/mol
Exact Mass372.00
IUPAC Name2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole
SMILESCOc1nn2cc(-c3nc4c(OC(F)(F)F)cccc4s3)nc2s1
InChIInChI=1S/C13H7F3N4O2S2/c1-21-12-19-20-5-6(17-11(20)24-12)10-18-9-7(22-13(14,15)16)3-2-4-8(9)23-10/h2-5H,1H3
InChIKeyKXAWTRHSKAVPGU-UHFFFAOYSA-N
XLogP3.97
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole
CID 118068407
6-indolizin-2-yl-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 147244081
6-(4,7-dimethoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068468
6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 138581301
4-(difluoromethoxy)-2-(trifluoromethoxy)-1,3-benzothiazole
CID 118807347
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 90605712
6-(5-bromo-7-methoxy-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 126729364
2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-5,6-dimethyl-1,3-benzoxazole
CID 118068479
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-(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068438
6-[4-[[3-[(2,6-dimethoxyphenyl)methoxy]phenyl]methoxy]-6-methoxy-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 118068713
2-methoxy-6-[6-methoxy-4-[(3-methylphenyl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 118068378

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole?
The IUPAC name of 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole (CID 118070677) is 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole?
The canonical SMILES for 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole is COc1nn2cc(-c3nc4c(OC(F)(F)F)cccc4s3)nc2s1.
What is the InChIKey of 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole?
The InChIKey is KXAWTRHSKAVPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4O2S2/c1-21-12-19-20-5-6(17-11(20)24-12)10-18-9-7(22-13(14,15)16)3-2-4-8(9)23-10/h2-5H,1H3.
What are the key properties of 2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole?
2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-4-(trifluoromethoxy)-1,3-benzothiazole has a molecular weight of 372.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 8 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-(trifluoromethoxy)-1,3-benzothiazole is sourced from PubChem (CID 118070677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).