N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine

C11H12ClFN2S — CID 43440102

IUPACN-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccc(F)cc2Cl)=N1
InChIInChI=1S/C11H12ClFN2S/c1-2-8-6-16-11(14-8)15-10-4-3-7(13)5-9(10)12/h3-5,8H,2,6H2,1H3,(H,14,15)
InChIKeyQGRPLAKTJZZOII-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.77
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine

N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43440102) has the molecular formula C11H12ClFN2S and a molecular weight of 258.75 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43440102
Molecular FormulaC11H12ClFN2S
Molecular Weight258.75 g/mol
Exact Mass258.04
IUPAC NameN-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2ccc(F)cc2Cl)=N1
InChIInChI=1S/C11H12ClFN2S/c1-2-8-6-16-11(14-8)15-10-4-3-7(13)5-9(10)12/h3-5,8H,2,6H2,1H3,(H,14,15)
InChIKeyQGRPLAKTJZZOII-UHFFFAOYSA-N
XLogP3.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 43440102) is N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2ccc(F)cc2Cl)=N1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is QGRPLAKTJZZOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2S/c1-2-8-6-16-11(14-8)15-10-4-3-7(13)5-9(10)12/h3-5,8H,2,6H2,1H3,(H,14,15).
What are the key properties of N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 258.75 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43440102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).