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

C16H10F2N2O3S — CID 2159185

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H10F2N2O3S/c17-9-6-10(18)14-13(7-9)24-16(19-14)20-15(21)8-1-2-11-12(5-8)23-4-3-22-11/h1-2,5-7H,3-4H2,(H,19,20,21)
InChIKeyFWXNQAGHESBHDN-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.60
Rot. Bonds2

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

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 2159185) has the molecular formula C16H10F2N2O3S and a molecular weight of 348.33 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID2159185
Molecular FormulaC16H10F2N2O3S
Molecular Weight348.33 g/mol
Exact Mass348.04
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H10F2N2O3S/c17-9-6-10(18)14-13(7-9)24-16(19-14)20-15(21)8-1-2-11-12(5-8)23-4-3-22-11/h1-2,5-7H,3-4H2,(H,19,20,21)
InChIKeyFWXNQAGHESBHDN-UHFFFAOYSA-N
XLogP3.60
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 2159185) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is FWXNQAGHESBHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O3S/c17-9-6-10(18)14-13(7-9)24-16(19-14)20-15(21)8-1-2-11-12(5-8)23-4-3-22-11/h1-2,5-7H,3-4H2,(H,19,20,21).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 348.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 2159185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).