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

C13H16F2N2S2 — CID 64550266

IUPACN-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2ccccc2SC(F)F)=N1
InChIInChI=1S/C13H16F2N2S2/c1-3-13(2)8-18-12(17-13)16-9-6-4-5-7-10(9)19-11(14)15/h4-7,11H,3,8H2,1-2H3,(H,16,17)
InChIKeyVOWDJDQBZRYDNA-UHFFFAOYSA-N
MW302.41 g/mol
LogP4.68
Rot. Bonds4

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

N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (PubChem CID 64550266) has the molecular formula C13H16F2N2S2 and a molecular weight of 302.41 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
PubChem CID64550266
Molecular FormulaC13H16F2N2S2
Molecular Weight302.41 g/mol
Exact Mass302.07
IUPAC NameN-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2ccccc2SC(F)F)=N1
InChIInChI=1S/C13H16F2N2S2/c1-3-13(2)8-18-12(17-13)16-9-6-4-5-7-10(9)19-11(14)15/h4-7,11H,3,8H2,1-2H3,(H,16,17)
InChIKeyVOWDJDQBZRYDNA-UHFFFAOYSA-N
XLogP4.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-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 N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (CID 64550266) is N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is CCC1(C)CSC(Nc2ccccc2SC(F)F)=N1.
What is the InChIKey of N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The InChIKey is VOWDJDQBZRYDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2S2/c1-3-13(2)8-18-12(17-13)16-9-6-4-5-7-10(9)19-11(14)15/h4-7,11H,3,8H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine has a molecular weight of 302.41 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfanyl)phenyl]-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 64550266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).