4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide

C20H17F3N2O2S — CID 121028810

IUPAC4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide
SMILESO=C(Nc1nc2c(C(F)(F)F)cccc2s1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H17F3N2O2S/c21-20(22,23)14-7-4-8-15-16(14)24-18(28-15)25-17(26)19(9-11-27-12-10-19)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,24,25,26)
InChIKeyWJEYAGUEVMFSMZ-UHFFFAOYSA-N
MW406.43 g/mol
LogP5.00
Rot. Bonds3

About 4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide

4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide (PubChem CID 121028810) has the molecular formula C20H17F3N2O2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide
PubChem CID121028810
Molecular FormulaC20H17F3N2O2S
Molecular Weight406.43 g/mol
Exact Mass406.10
IUPAC Name4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide
SMILESO=C(Nc1nc2c(C(F)(F)F)cccc2s1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H17F3N2O2S/c21-20(22,23)14-7-4-8-15-16(14)24-18(28-15)25-17(26)19(9-11-27-12-10-19)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,24,25,26)
InChIKeyWJEYAGUEVMFSMZ-UHFFFAOYSA-N
XLogP5.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121028814
N-(6-methyl-1,3-benzothiazol-2-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60564434
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 121028824
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enamide
CID 154766225
N-(4-chloro-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 58554483
4-(aminomethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120918147
4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 121028845
5-oxo-1-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]pyrrolidine-3-carboxamide
CID 121028929
2-(4-propan-2-ylsulfanylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121028805
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 71778697
N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 60564426
N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32618876

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide (CID 121028810) is 4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide is O=C(Nc1nc2c(C(F)(F)F)cccc2s1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide?
The InChIKey is WJEYAGUEVMFSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S/c21-20(22,23)14-7-4-8-15-16(14)24-18(28-15)25-17(26)19(9-11-27-12-10-19)13-5-2-1-3-6-13/h1-8H,9-12H2,(H,24,25,26).
What are the key properties of 4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide?
4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 121028810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).