5,7-bis(trifluoromethyl)-1,3-benzothiazole

C9H3F6NS — CID 23043720

IUPAC5,7-bis(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1cc(C(F)(F)F)c2scnc2c1
InChIInChI=1S/C9H3F6NS/c10-8(11,12)4-1-5(9(13,14)15)7-6(2-4)16-3-17-7/h1-3H
InChIKeyMUTVNEZNCPSMIG-UHFFFAOYSA-N
MW271.19 g/mol
LogP4.33
Rot. Bonds

About 5,7-bis(trifluoromethyl)-1,3-benzothiazole

5,7-bis(trifluoromethyl)-1,3-benzothiazole (PubChem CID 23043720) has the molecular formula C9H3F6NS and a molecular weight of 271.19 g/mol. Its IUPAC name is 5,7-bis(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5,7-bis(trifluoromethyl)-1,3-benzothiazole
PubChem CID23043720
Molecular FormulaC9H3F6NS
Molecular Weight271.19 g/mol
Exact Mass270.99
IUPAC Name5,7-bis(trifluoromethyl)-1,3-benzothiazole
SMILESFC(F)(F)c1cc(C(F)(F)F)c2scnc2c1
InChIInChI=1S/C9H3F6NS/c10-8(11,12)4-1-5(9(13,14)15)7-6(2-4)16-3-17-7/h1-3H
InChIKeyMUTVNEZNCPSMIG-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzothiazole, 2-methyl-5-(trifluoromethyl)-
CID 67857
2-Chloro-5,7-dimethyl-1,3-benzothiazole
CID 2049880
2-Chloro-5-(trifluoromethyl)-1,3-benzothiazole
CID 21985849
3-Ethyl-2,5,7-trimethyl-benzothiazol-3-ium
CID 11958709
5-(Trifluoromethyl)-1,3-benzothiazole
CID 19937247
2,5,7-Trimethyl-1,3-benzothiazole
CID 3728905
5-(Chloromethyl)-1,3-benzothiazole
CID 67965930
1-(1,3-Benzothiazol-5-yl)methanamine
CID 69765407
5-Ethynylbenzo[d]thiazole
CID 76538917
2-Bromo-5-(trifluoromethyl)-1,3-benzothiazole
CID 86719506
7-Nitro-5-(trifluoromethyl)-1,3-benzothiazole
CID 134815035
6-(Trifluoromethyl)-1,3-benzothiazole
CID 14810650

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 5,7-bis(trifluoromethyl)-1,3-benzothiazole (CID 23043720) is 5,7-bis(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 5,7-bis(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 5,7-bis(trifluoromethyl)-1,3-benzothiazole is FC(F)(F)c1cc(C(F)(F)F)c2scnc2c1.
What is the InChIKey of 5,7-bis(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is MUTVNEZNCPSMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F6NS/c10-8(11,12)4-1-5(9(13,14)15)7-6(2-4)16-3-17-7/h1-3H.
What are the key properties of 5,7-bis(trifluoromethyl)-1,3-benzothiazole?
5,7-bis(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 271.19 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 23043720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).