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

C16H15F3N4OS — CID 121331182

IUPAC2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCC1CNCCN1c1nc2cc(C(F)(F)F)cc(-c3nccs3)c2o1
InChIInChI=1S/C16H15F3N4OS/c1-9-8-20-2-4-23(9)15-22-12-7-10(16(17,18)19)6-11(13(12)24-15)14-21-3-5-25-14/h3,5-7,9,20H,2,4,8H2,1H3
InChIKeyKNBWZIDUSMOHFN-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.77
Rot. Bonds2

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

2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 121331182) has the molecular formula C16H15F3N4OS and a molecular weight of 368.38 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole
PubChem CID121331182
Molecular FormulaC16H15F3N4OS
Molecular Weight368.38 g/mol
Exact Mass368.09
IUPAC Name2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCC1CNCCN1c1nc2cc(C(F)(F)F)cc(-c3nccs3)c2o1
InChIInChI=1S/C16H15F3N4OS/c1-9-8-20-2-4-23(9)15-22-12-7-10(16(17,18)19)6-11(13(12)24-15)14-21-3-5-25-14/h3,5-7,9,20H,2,4,8H2,1H3
InChIKeyKNBWZIDUSMOHFN-UHFFFAOYSA-N
XLogP3.77
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole (CID 121331182) is 2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole is CC1CNCCN1c1nc2cc(C(F)(F)F)cc(-c3nccs3)c2o1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is KNBWZIDUSMOHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4OS/c1-9-8-20-2-4-23(9)15-22-12-7-10(16(17,18)19)6-11(13(12)24-15)14-21-3-5-25-14/h3,5-7,9,20H,2,4,8H2,1H3.
What are the key properties of 2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole?
2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 368.38 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-7-(1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 121331182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).