N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide

C16H12N2O4S — CID 7189882

IUPACN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C16H12N2O4S/c1-20-11-5-3-2-4-9(11)15(19)18-16-17-10-6-12-13(22-8-21-12)7-14(10)23-16/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyWOGSPYDEYVVLEB-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.29
Rot. Bonds3

About N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide (PubChem CID 7189882) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide
PubChem CID7189882
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C16H12N2O4S/c1-20-11-5-3-2-4-9(11)15(19)18-16-17-10-6-12-13(22-8-21-12)7-14(10)23-16/h2-7H,8H2,1H3,(H,17,18,19)
InChIKeyWOGSPYDEYVVLEB-UHFFFAOYSA-N
XLogP3.29
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide?
The IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide (CID 7189882) is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide.
What is the SMILES notation for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide?
The canonical SMILES for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc2cc3c(cc2s1)OCO3.
What is the InChIKey of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide?
The InChIKey is WOGSPYDEYVVLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c1-20-11-5-3-2-4-9(11)15(19)18-16-17-10-6-12-13(22-8-21-12)7-14(10)23-16/h2-7H,8H2,1H3,(H,17,18,19).
What are the key properties of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide?
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide has a molecular weight of 328.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methoxybenzamide is sourced from PubChem (CID 7189882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).