2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

C13H8F3NOS2 — CID 106784824

IUPAC2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CSc2ccccc21
InChIInChI=1S/C13H8F3NOS2/c14-13(15,16)12-17-5-10(20-12)11(18)8-6-19-9-4-2-1-3-7(8)9/h1-5,8H,6H2
InChIKeyQSFLBRHISXKWOQ-UHFFFAOYSA-N
MW315.34 g/mol
LogP4.23
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone

2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 106784824) has the molecular formula C13H8F3NOS2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
PubChem CID106784824
Molecular FormulaC13H8F3NOS2
Molecular Weight315.34 g/mol
Exact Mass315.00
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)s1)C1CSc2ccccc21
InChIInChI=1S/C13H8F3NOS2/c14-13(15,16)12-17-5-10(20-12)11(18)8-6-19-9-4-2-1-3-7(8)9/h1-5,8H,6H2
InChIKeyQSFLBRHISXKWOQ-UHFFFAOYSA-N
XLogP4.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzoxathiin-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782705
2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095519
(2-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784849
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone
CID 105080984
(2,6-difluorophenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105100893
azetidin-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784725
thiolan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106784865
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
(1-phenylcyclopropyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782483
1-(2,3-dihydro-1-benzothiophene-3-carbonyl)piperidin-4-one
CID 79212249
2,3-dihydro-1-benzothiophen-3-yl(quinolin-6-yl)methanone
CID 105121584

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone (CID 106784824) is 2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C(F)(F)F)s1)C1CSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is QSFLBRHISXKWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NOS2/c14-13(15,16)12-17-5-10(20-12)11(18)8-6-19-9-4-2-1-3-7(8)9/h1-5,8H,6H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone?
2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 315.34 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 106784824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).