6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole

C11H10F3NS — CID 134416793

IUPAC6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole
SMILESCCc1cc(C(F)(F)F)c2nc(C)sc2c1
InChIInChI=1S/C11H10F3NS/c1-3-7-4-8(11(12,13)14)10-9(5-7)16-6(2)15-10/h4-5H,3H2,1-2H3
InChIKeyYUMPMAGKUHMPIT-UHFFFAOYSA-N
MW245.27 g/mol
LogP4.19
Rot. Bonds1

About 6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole

6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole (PubChem CID 134416793) has the molecular formula C11H10F3NS and a molecular weight of 245.27 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole
PubChem CID134416793
Molecular FormulaC11H10F3NS
Molecular Weight245.27 g/mol
Exact Mass245.05
IUPAC Name6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole
SMILESCCc1cc(C(F)(F)F)c2nc(C)sc2c1
InChIInChI=1S/C11H10F3NS/c1-3-7-4-8(11(12,13)14)10-9(5-7)16-6(2)15-10/h4-5H,3H2,1-2H3
InChIKeyYUMPMAGKUHMPIT-UHFFFAOYSA-N
XLogP4.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole?
The IUPAC name of 6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole (CID 134416793) is 6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole.
What is the SMILES notation for 6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole?
The canonical SMILES for 6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole is CCc1cc(C(F)(F)F)c2nc(C)sc2c1.
What is the InChIKey of 6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole?
The InChIKey is YUMPMAGKUHMPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NS/c1-3-7-4-8(11(12,13)14)10-9(5-7)16-6(2)15-10/h4-5H,3H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole?
6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole has a molecular weight of 245.27 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4-(trifluoromethyl)-1,3-benzothiazole is sourced from PubChem (CID 134416793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).