N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide

C17H14N2O4S — CID 7189883

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C17H14N2O4S/c1-21-12-5-3-2-4-10(12)16(20)19-17-18-11-8-13-14(9-15(11)24-17)23-7-6-22-13/h2-5,8-9H,6-7H2,1H3,(H,18,19,20)
InChIKeyRXKONCCSUNTPRJ-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.33
Rot. Bonds3

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide (PubChem CID 7189883) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide
PubChem CID7189883
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C17H14N2O4S/c1-21-12-5-3-2-4-10(12)16(20)19-17-18-11-8-13-14(9-15(11)24-17)23-7-6-22-13/h2-5,8-9H,6-7H2,1H3,(H,18,19,20)
InChIKeyRXKONCCSUNTPRJ-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-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide (CID 7189883) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCCO3.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide?
The InChIKey is RXKONCCSUNTPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-21-12-5-3-2-4-10(12)16(20)19-17-18-11-8-13-14(9-15(11)24-17)23-7-6-22-13/h2-5,8-9H,6-7H2,1H3,(H,18,19,20).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide 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-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 7189883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).