4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine

C13H14F2N2OS — CID 2443333

IUPAC4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2ccc(OC(F)F)cc2)c(C)s1
InChIInChI=1S/C13H14F2N2OS/c1-3-16-13-17-11(8(2)19-13)9-4-6-10(7-5-9)18-12(14)15/h4-7,12H,3H2,1-2H3,(H,16,17)
InChIKeyRUBRRYIXISVGBY-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.15
Rot. Bonds5

About 4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine

4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine (PubChem CID 2443333) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine
PubChem CID2443333
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2ccc(OC(F)F)cc2)c(C)s1
InChIInChI=1S/C13H14F2N2OS/c1-3-16-13-17-11(8(2)19-13)9-4-6-10(7-5-9)18-12(14)15/h4-7,12H,3H2,1-2H3,(H,16,17)
InChIKeyRUBRRYIXISVGBY-UHFFFAOYSA-N
XLogP4.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine (CID 2443333) is 4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine is CCNc1nc(-c2ccc(OC(F)F)cc2)c(C)s1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine?
The InChIKey is RUBRRYIXISVGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-3-16-13-17-11(8(2)19-13)9-4-6-10(7-5-9)18-12(14)15/h4-7,12H,3H2,1-2H3,(H,16,17).
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine?
4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine has a molecular weight of 284.33 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-N-ethyl-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2443333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).