N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine

C13H16ClFN2S — CID 62517851

IUPACN-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2ccc(Cl)c(F)c2)=N1
InChIInChI=1S/C13H16ClFN2S/c1-3-13(4-2)8-18-12(17-13)16-9-5-6-10(14)11(15)7-9/h5-7H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyADXCSTGZCILIML-UHFFFAOYSA-N
MW286.80 g/mol
LogP4.55
Rot. Bonds3

About N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine

N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine (PubChem CID 62517851) has the molecular formula C13H16ClFN2S and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
PubChem CID62517851
Molecular FormulaC13H16ClFN2S
Molecular Weight286.80 g/mol
Exact Mass286.07
IUPAC NameN-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2ccc(Cl)c(F)c2)=N1
InChIInChI=1S/C13H16ClFN2S/c1-3-13(4-2)8-18-12(17-13)16-9-5-6-10(14)11(15)7-9/h5-7H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyADXCSTGZCILIML-UHFFFAOYSA-N
XLogP4.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-3-fluorophenyl)-4,4-diethyl-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

Related Compounds

N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165502
4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine
CID 55081235
N-(4-ethoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62522939
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62524659
4,4-diethyl-N-(2,3,5,6-tetrafluorophenyl)-5H-1,3-thiazol-2-amine
CID 107645461
4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine
CID 55081372
4,4-diethyl-N-(3-iodophenyl)-5H-1,3-thiazol-2-amine
CID 62523962
N-(4-chloro-3-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63182970
N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62523651
4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine
CID 62519245
[2-(4-fluoroanilino)-4-(hydroxymethyl)-5H-1,3-thiazol-4-yl]methyl 2,4-dichloro-5-fluorobenzoate
CID 11259398
4,4-diethyl-N-(3-methylpentan-3-yl)-5H-1,3-thiazol-2-amine
CID 106330139

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine (CID 62517851) is N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2ccc(Cl)c(F)c2)=N1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The InChIKey is ADXCSTGZCILIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2S/c1-3-13(4-2)8-18-12(17-13)16-9-5-6-10(14)11(15)7-9/h5-7H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine has a molecular weight of 286.80 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 62517851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).