3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole

C13H12F3NOS — CID 142264472

IUPAC3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole
SMILESC=C1SC=C(c2ccc(OC(F)(F)CF)cc2)N1C
InChIInChI=1S/C13H12F3NOS/c1-9-17(2)12(7-19-9)10-3-5-11(6-4-10)18-13(15,16)8-14/h3-7H,1,8H2,2H3
InChIKeyHJBIEAFRMHYSOA-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.08
Rot. Bonds4

About 3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole

3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole (PubChem CID 142264472) has the molecular formula C13H12F3NOS and a molecular weight of 287.31 g/mol. Its IUPAC name is 3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole
PubChem CID142264472
Molecular FormulaC13H12F3NOS
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole
SMILESC=C1SC=C(c2ccc(OC(F)(F)CF)cc2)N1C
InChIInChI=1S/C13H12F3NOS/c1-9-17(2)12(7-19-9)10-3-5-11(6-4-10)18-13(15,16)8-14/h3-7H,1,8H2,2H3
InChIKeyHJBIEAFRMHYSOA-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole?
The IUPAC name of 3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole (CID 142264472) is 3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole.
What is the SMILES notation for 3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole?
The canonical SMILES for 3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole is C=C1SC=C(c2ccc(OC(F)(F)CF)cc2)N1C.
What is the InChIKey of 3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole?
The InChIKey is HJBIEAFRMHYSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NOS/c1-9-17(2)12(7-19-9)10-3-5-11(6-4-10)18-13(15,16)8-14/h3-7H,1,8H2,2H3.
What are the key properties of 3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole?
3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole has a molecular weight of 287.31 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-4-[4-(1,1,2-trifluoroethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 142264472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).