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

C11H8F3NS — CID 59263289

IUPAC5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C11H8F3NS/c1-7-6-15-10(16-7)8-2-4-9(5-3-8)11(12,13)14/h2-6H,1H3
InChIKeyVSWANCOTEVLVNT-UHFFFAOYSA-N
MW243.25 g/mol
LogP4.14
Rot. Bonds1

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

5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 59263289) has the molecular formula C11H8F3NS and a molecular weight of 243.25 g/mol. Its IUPAC name is 5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID59263289
Molecular FormulaC11H8F3NS
Molecular Weight243.25 g/mol
Exact Mass243.03
IUPAC Name5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1cnc(-c2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C11H8F3NS/c1-7-6-15-10(16-7)8-2-4-9(5-3-8)11(12,13)14/h2-6H,1H3
InChIKeyVSWANCOTEVLVNT-UHFFFAOYSA-N
XLogP4.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 59263289) is 5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is Cc1cnc(-c2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is VSWANCOTEVLVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS/c1-7-6-15-10(16-7)8-2-4-9(5-3-8)11(12,13)14/h2-6H,1H3.
What are the key properties of 5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 243.25 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 59263289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).