N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

C11H11ClF2N2S — CID 83087402

IUPACN-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2c(F)cc(F)cc2Cl)=N1
InChIInChI=1S/C11H11ClF2N2S/c1-11(2)5-17-10(16-11)15-9-7(12)3-6(13)4-8(9)14/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyKZOFMXGGPGOUNQ-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.91
Rot. Bonds1

About N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (PubChem CID 83087402) has the molecular formula C11H11ClF2N2S and a molecular weight of 276.74 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
PubChem CID83087402
Molecular FormulaC11H11ClF2N2S
Molecular Weight276.74 g/mol
Exact Mass276.03
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2c(F)cc(F)cc2Cl)=N1
InChIInChI=1S/C11H11ClF2N2S/c1-11(2)5-17-10(16-11)15-9-7(12)3-6(13)4-8(9)14/h3-4H,5H2,1-2H3,(H,15,16)
InChIKeyKZOFMXGGPGOUNQ-UHFFFAOYSA-N
XLogP3.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-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-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine (CID 83087402) is N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is CC1(C)CSC(Nc2c(F)cc(F)cc2Cl)=N1.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
The InChIKey is KZOFMXGGPGOUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2S/c1-11(2)5-17-10(16-11)15-9-7(12)3-6(13)4-8(9)14/h3-4H,5H2,1-2H3,(H,15,16).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine?
N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine has a molecular weight of 276.74 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 83087402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).