N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C17H14N2O4S — CID 2423039

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3ccc4c(c3)OCCO4)nc12
InChIInChI=1S/C17H14N2O4S/c1-21-12-3-2-4-14-15(12)18-17(24-14)19-16(20)10-5-6-11-13(9-10)23-8-7-22-11/h2-6,9H,7-8H2,1H3,(H,18,19,20)
InChIKeyLGMVVPGMUXAPSG-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.33
Rot. Bonds3

About N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 2423039) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID2423039
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3ccc4c(c3)OCCO4)nc12
InChIInChI=1S/C17H14N2O4S/c1-21-12-3-2-4-14-15(12)18-17(24-14)19-16(20)10-5-6-11-13(9-10)23-8-7-22-11/h2-6,9H,7-8H2,1H3,(H,18,19,20)
InChIKeyLGMVVPGMUXAPSG-UHFFFAOYSA-N
XLogP3.33
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 2423039) is N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is COc1cccc2sc(NC(=O)c3ccc4c(c3)OCCO4)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is LGMVVPGMUXAPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-21-12-3-2-4-14-15(12)18-17(24-14)19-16(20)10-5-6-11-13(9-10)23-8-7-22-11/h2-6,9H,7-8H2,1H3,(H,18,19,20).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 2423039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).