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

C13H10ClFN4OS — CID 66373090

IUPAC1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc(-c3ccc(F)cc3Cl)no2)cs1
InChIInChI=1S/C13H10ClFN4OS/c1-6(16)13-17-10(5-21-13)12-18-11(19-20-12)8-3-2-7(15)4-9(8)14/h2-6H,16H2,1H3
InChIKeyPUTJMMFZBOPEQZ-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.67
Rot. Bonds3

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

1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66373090) has the molecular formula C13H10ClFN4OS and a molecular weight of 324.77 g/mol. Its IUPAC name is 1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66373090
Molecular FormulaC13H10ClFN4OS
Molecular Weight324.77 g/mol
Exact Mass324.02
IUPAC Name1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(-c2nc(-c3ccc(F)cc3Cl)no2)cs1
InChIInChI=1S/C13H10ClFN4OS/c1-6(16)13-17-10(5-21-13)12-18-11(19-20-12)8-3-2-7(15)4-9(8)14/h2-6H,16H2,1H3
InChIKeyPUTJMMFZBOPEQZ-UHFFFAOYSA-N
XLogP3.67
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66373664
5-chloro-3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
CID 62944891
1-[4-(5-chloro-2-fluorophenyl)-1,3-thiazol-2-yl]ethanamine
CID 116867670
4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 81273589
3-[5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921033
1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66374418
1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine
CID 5020525
4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79392513
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 62945976
1-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine
CID 66375397
(1S,2S)-1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 103832860
1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66373458

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine (CID 66373090) is 1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(-c2nc(-c3ccc(F)cc3Cl)no2)cs1.
What is the InChIKey of 1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is PUTJMMFZBOPEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4OS/c1-6(16)13-17-10(5-21-13)12-18-11(19-20-12)8-3-2-7(15)4-9(8)14/h2-6H,16H2,1H3.
What are the key properties of 1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine?
1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 324.77 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66373090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).