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

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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).