2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine

C11H10ClFN2S — CID 62944104

IUPAC2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H10ClFN2S/c12-10-5-7(13)1-2-9(10)11-15-8(3-4-14)6-16-11/h1-2,5-6H,3-4,14H2
InChIKeyCFDYTSQCIBFAER-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.10
Rot. Bonds3

About 2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine

2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 62944104) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID62944104
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine
SMILESNCCc1csc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H10ClFN2S/c12-10-5-7(13)1-2-9(10)11-15-8(3-4-14)6-16-11/h1-2,5-6H,3-4,14H2
InChIKeyCFDYTSQCIBFAER-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine (CID 62944104) is 2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine is NCCc1csc(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is CFDYTSQCIBFAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c12-10-5-7(13)1-2-9(10)11-15-8(3-4-14)6-16-11/h1-2,5-6H,3-4,14H2.
What are the key properties of 2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 256.73 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-fluorophenyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 62944104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).