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

C15H10F3NS2 — CID 14424279

IUPAC5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)s2)s1
InChIInChI=1S/C15H10F3NS2/c1-9-2-7-12(20-9)13-8-19-14(21-13)10-3-5-11(6-4-10)15(16,17)18/h2-8H,1H3
InChIKeyKZUFFBYNBWGAGQ-UHFFFAOYSA-N
MW325.38 g/mol
LogP5.87
Rot. Bonds2

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

5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 14424279) has the molecular formula C15H10F3NS2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID14424279
Molecular FormulaC15H10F3NS2
Molecular Weight325.38 g/mol
Exact Mass325.02
IUPAC Name5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)s2)s1
InChIInChI=1S/C15H10F3NS2/c1-9-2-7-12(20-9)13-8-19-14(21-13)10-3-5-11(6-4-10)15(16,17)18/h2-8H,1H3
InChIKeyKZUFFBYNBWGAGQ-UHFFFAOYSA-N
XLogP5.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.38
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 14424279) is 5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is Cc1ccc(-c2cnc(-c3ccc(C(F)(F)F)cc3)s2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is KZUFFBYNBWGAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NS2/c1-9-2-7-12(20-9)13-8-19-14(21-13)10-3-5-11(6-4-10)15(16,17)18/h2-8H,1H3.
What are the key properties of 5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 325.38 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 14424279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).