4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine

C12H12ClFN2S — CID 83157199

IUPAC4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCC(c1ccccc1F)N(C)c1nc(Cl)cs1
InChIInChI=1S/C12H12ClFN2S/c1-8(9-5-3-4-6-10(9)14)16(2)12-15-11(13)7-17-12/h3-8H,1-2H3
InChIKeyXBHHJWKGVZDDIT-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.13
Rot. Bonds3

About 4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine

4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 83157199) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID83157199
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC Name4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
SMILESCC(c1ccccc1F)N(C)c1nc(Cl)cs1
InChIInChI=1S/C12H12ClFN2S/c1-8(9-5-3-4-6-10(9)14)16(2)12-15-11(13)7-17-12/h3-8H,1-2H3
InChIKeyXBHHJWKGVZDDIT-UHFFFAOYSA-N
XLogP4.13
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-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

Related Compounds

4-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 83156958
4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 83156953
4-chloro-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 83155951
6-chloro-N-[1-(2-fluorophenyl)ethyl]-N,2,5-trimethylpyrimidin-4-amine
CID 63729056
6-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-2-amine
CID 55140098
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,2,4-triazin-5-amine
CID 55140097
4-chloro-N-[1-(2-fluorophenyl)ethyl]-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62983717
5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 62985824
methyl 2-[1-(2-fluorophenyl)ethyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115424360
4-chloro-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylbenzene-1,2-diamine
CID 62980215
4-chloro-2-N-[1-(2-fluorophenyl)ethyl]-2-N-methylbenzene-1,2-diamine
CID 115468939
4-N-[1-(2-fluorophenyl)ethyl]-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327502

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine (CID 83157199) is 4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine is CC(c1ccccc1F)N(C)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is XBHHJWKGVZDDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-8(9-5-3-4-6-10(9)14)16(2)12-15-11(13)7-17-12/h3-8H,1-2H3.
What are the key properties of 4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine?
4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 270.76 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 83157199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).