4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide

C20H19FN2O3S — CID 10172774

IUPAC4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(C2CCCCO2)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C20H19FN2O3S/c1-25-16-10-9-14(15-4-2-3-11-26-15)18-17(16)22-20(27-18)23-19(24)12-5-7-13(21)8-6-12/h5-10,15H,2-4,11H2,1H3,(H,22,23,24)
InChIKeyXESAKMLRPCEENU-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.94
Rot. Bonds4

About 4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide

4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 10172774) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID10172774
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(C2CCCCO2)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C20H19FN2O3S/c1-25-16-10-9-14(15-4-2-3-11-26-15)18-17(16)22-20(27-18)23-19(24)12-5-7-13(21)8-6-12/h5-10,15H,2-4,11H2,1H3,(H,22,23,24)
InChIKeyXESAKMLRPCEENU-UHFFFAOYSA-N
XLogP4.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide with MolForge

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Related Compounds

methyl 4-[2-[(4-fluorobenzoyl)amino]-4-methoxy-1,3-benzothiazol-7-yl]piperidine-1-carboxylate
CID 86588849
N-[7-(1,4-dioxan-2-yl)-4-methoxy-1,3-benzothiazol-2-yl]-3-fluorobenzamide
CID 22507764
4-fluoro-N-[4-methoxy-7-[methyl(oxan-4-yl)amino]-1,3-benzothiazol-2-yl]benzamide
CID 10173219
N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 22283414
4-(chloromethyl)-N-(7-cyclohexyl-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 22719560
N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 22283409
N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)-4-methylbenzamide;hydrochloride
CID 22719572
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]benzamide
CID 22719578
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
(2S)-N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]oxolane-2-carboxamide
CID 11280386
4-[[2-methoxyethyl(methyl)amino]methyl]-N-(4-methoxy-7-piperidin-4-yl-1,3-benzothiazol-2-yl)benzamide
CID 22719581

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide (CID 10172774) is 4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide is COc1ccc(C2CCCCO2)c2sc(NC(=O)c3ccc(F)cc3)nc12.
What is the InChIKey of 4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is XESAKMLRPCEENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-25-16-10-9-14(15-4-2-3-11-26-15)18-17(16)22-20(27-18)23-19(24)12-5-7-13(21)8-6-12/h5-10,15H,2-4,11H2,1H3,(H,22,23,24).
What are the key properties of 4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide?
4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 10172774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).