1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine

C11H10ClFN2S — CID 116867670

IUPAC1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2cc(Cl)ccc2F)cs1
InChIInChI=1S/C11H10ClFN2S/c1-6(14)11-15-10(5-16-11)8-4-7(12)2-3-9(8)13/h2-6H,14H2,1H3
InChIKeySNQYCXUDNUYBEF-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.62
Rot. Bonds2

About 1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine

1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 116867670) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID116867670
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2cc(Cl)ccc2F)cs1
InChIInChI=1S/C11H10ClFN2S/c1-6(14)11-15-10(5-16-11)8-4-7(12)2-3-9(8)13/h2-6H,14H2,1H3
InChIKeySNQYCXUDNUYBEF-UHFFFAOYSA-N
XLogP3.62
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine
CID 5020525
1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol
CID 63524563
1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373090
1-[4-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 61338792
1-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373664
1-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120580478
1-[4-(4-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 82967723
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 5162652
1-(4-thiophen-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62091887
2-amino-1-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966828
2-(1-aminoethyl)-N-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390343
1-[4-(5-chloro-2-ethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5239205

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine (CID 116867670) is 1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2cc(Cl)ccc2F)cs1.
What is the InChIKey of 1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is SNQYCXUDNUYBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-6(14)11-15-10(5-16-11)8-4-7(12)2-3-9(8)13/h2-6H,14H2,1H3.
What are the key properties of 1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 256.73 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 116867670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).