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

C11H10ClFN2S — CID 143638633

IUPACN-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C11H10ClFN2S/c1-2-8-6-16-11(14-8)15-10-5-7(12)3-4-9(10)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyMEFRTUARFZLGKP-UHFFFAOYSA-N
MW256.73 g/mol
LogP4.24
Rot. Bonds3

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

N-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine (PubChem CID 143638633) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine
PubChem CID143638633
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC NameN-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(Nc2cc(Cl)ccc2F)n1
InChIInChI=1S/C11H10ClFN2S/c1-2-8-6-16-11(14-8)15-10-5-7(12)3-4-9(10)13/h3-6H,2H2,1H3,(H,14,15)
InChIKeyMEFRTUARFZLGKP-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine (CID 143638633) is N-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine is CCc1csc(Nc2cc(Cl)ccc2F)n1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is MEFRTUARFZLGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-2-8-6-16-11(14-8)15-10-5-7(12)3-4-9(10)13/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of N-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine?
N-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 256.73 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 143638633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).