5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole

C15H15FN4OS — CID 121331138

IUPAC5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole
SMILESCC1CNCCN1c1nc2cc(F)cc(-c3nccs3)c2o1
InChIInChI=1S/C15H15FN4OS/c1-9-8-17-2-4-20(9)15-19-12-7-10(16)6-11(13(12)21-15)14-18-3-5-22-14/h3,5-7,9,17H,2,4,8H2,1H3
InChIKeyFEMSJQYNLFDERP-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.89
Rot. Bonds2

About 5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole

5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole (PubChem CID 121331138) has the molecular formula C15H15FN4OS and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole
PubChem CID121331138
Molecular FormulaC15H15FN4OS
Molecular Weight318.38 g/mol
Exact Mass318.10
IUPAC Name5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole
SMILESCC1CNCCN1c1nc2cc(F)cc(-c3nccs3)c2o1
InChIInChI=1S/C15H15FN4OS/c1-9-8-17-2-4-20(9)15-19-12-7-10(16)6-11(13(12)21-15)14-18-3-5-22-14/h3,5-7,9,17H,2,4,8H2,1H3
InChIKeyFEMSJQYNLFDERP-UHFFFAOYSA-N
XLogP2.89
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole (CID 121331138) is 5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole is CC1CNCCN1c1nc2cc(F)cc(-c3nccs3)c2o1.
What is the InChIKey of 5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole?
The InChIKey is FEMSJQYNLFDERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4OS/c1-9-8-17-2-4-20(9)15-19-12-7-10(16)6-11(13(12)21-15)14-18-3-5-22-14/h3,5-7,9,17H,2,4,8H2,1H3.
What are the key properties of 5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole?
5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole has a molecular weight of 318.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 121331138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).