2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole

C10H8F3NS — CID 175287640

IUPAC2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESFC(F)(F)c1ccc(C2=NCCS2)cc1
InChIInChI=1S/C10H8F3NS/c11-10(12,13)8-3-1-7(2-4-8)9-14-5-6-15-9/h1-4H,5-6H2
InChIKeyYPERNHWNEQCXJV-UHFFFAOYSA-N
MW231.24 g/mol
LogP3.20
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole

2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 175287640) has the molecular formula C10H8F3NS and a molecular weight of 231.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID175287640
Molecular FormulaC10H8F3NS
Molecular Weight231.24 g/mol
Exact Mass231.03
IUPAC Name2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole
SMILESFC(F)(F)c1ccc(C2=NCCS2)cc1
InChIInChI=1S/C10H8F3NS/c11-10(12,13)8-3-1-7(2-4-8)9-14-5-6-15-9/h1-4H,5-6H2
InChIKeyYPERNHWNEQCXJV-UHFFFAOYSA-N
XLogP3.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole (CID 175287640) is 2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole is FC(F)(F)c1ccc(C2=NCCS2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is YPERNHWNEQCXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NS/c11-10(12,13)8-3-1-7(2-4-8)9-14-5-6-15-9/h1-4H,5-6H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole?
2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 231.24 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 175287640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).