3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole

C13H14F3N3O3S2 — CID 2742815

IUPAC3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1
InChIInChI=1S/C13H14F3N3O3S2/c1-18-4-6-19(7-5-18)24(20,21)12-3-2-10(23-12)9-8-11(22-17-9)13(14,15)16/h2-3,8H,4-7H2,1H3
InChIKeyXPFLWRGGOSKSLI-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.36
Rot. Bonds3

About 3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole

3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 2742815) has the molecular formula C13H14F3N3O3S2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
PubChem CID2742815
Molecular FormulaC13H14F3N3O3S2
Molecular Weight381.40 g/mol
Exact Mass381.04
IUPAC Name3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole
SMILESCN1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1
InChIInChI=1S/C13H14F3N3O3S2/c1-18-4-6-19(7-5-18)24(20,21)12-3-2-10(23-12)9-8-11(22-17-9)13(14,15)16/h2-3,8H,4-7H2,1H3
InChIKeyXPFLWRGGOSKSLI-UHFFFAOYSA-N
XLogP2.36
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole 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 3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole (CID 2742815) is 3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole is CN1CCN(S(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)s2)CC1.
What is the InChIKey of 3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is XPFLWRGGOSKSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O3S2/c1-18-4-6-19(7-5-18)24(20,21)12-3-2-10(23-12)9-8-11(22-17-9)13(14,15)16/h2-3,8H,4-7H2,1H3.
What are the key properties of 3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole?
3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 381.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 2742815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).