4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline

C15H15FN4OS — CID 154838659

IUPAC4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline
SMILESCCc1ncc(-c2nc(-c3ccc(N(C)C)c(F)c3)no2)s1
InChIInChI=1S/C15H15FN4OS/c1-4-13-17-8-12(22-13)15-18-14(19-21-15)9-5-6-11(20(2)3)10(16)7-9/h5-8H,4H2,1-3H3
InChIKeyAJDMVBIXXZMDPJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.63
Rot. Bonds4

About 4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline

4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline (PubChem CID 154838659) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline
PubChem CID154838659
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline
SMILESCCc1ncc(-c2nc(-c3ccc(N(C)C)c(F)c3)no2)s1
InChIInChI=1S/C15H15FN4OS/c1-4-13-17-8-12(22-13)15-18-14(19-21-15)9-5-6-11(20(2)3)10(16)7-9/h5-8H,4H2,1-3H3
InChIKeyAJDMVBIXXZMDPJ-UHFFFAOYSA-N
XLogP3.63
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline?
The IUPAC name of 4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline (CID 154838659) is 4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline is CCc1ncc(-c2nc(-c3ccc(N(C)C)c(F)c3)no2)s1.
What is the InChIKey of 4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline?
The InChIKey is AJDMVBIXXZMDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c1-4-13-17-8-12(22-13)15-18-14(19-21-15)9-5-6-11(20(2)3)10(16)7-9/h5-8H,4H2,1-3H3.
What are the key properties of 4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline?
4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline has a molecular weight of 318.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-ethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluoro-N,N-dimethylaniline is sourced from PubChem (CID 154838659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).