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

C17H14N2O5S — CID 7189836

IUPACN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)c(OC)c1
InChIInChI=1S/C17H14N2O5S/c1-21-9-3-4-10(12(5-9)22-2)16(20)19-17-18-11-6-13-14(24-8-23-13)7-15(11)25-17/h3-7H,8H2,1-2H3,(H,18,19,20)
InChIKeyQJEOFSWDTVXBSJ-UHFFFAOYSA-N
MW358.38 g/mol
LogP3.29
Rot. Bonds4

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

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,4-dimethoxybenzamide (PubChem CID 7189836) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,4-dimethoxybenzamide
PubChem CID7189836
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)c(OC)c1
InChIInChI=1S/C17H14N2O5S/c1-21-9-3-4-10(12(5-9)22-2)16(20)19-17-18-11-6-13-14(24-8-23-13)7-15(11)25-17/h3-7H,8H2,1-2H3,(H,18,19,20)
InChIKeyQJEOFSWDTVXBSJ-UHFFFAOYSA-N
XLogP3.29
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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)-2,4-dimethoxybenzamide?
The IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,4-dimethoxybenzamide (CID 7189836) is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)c(OC)c1.
What is the InChIKey of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,4-dimethoxybenzamide?
The InChIKey is QJEOFSWDTVXBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-21-9-3-4-10(12(5-9)22-2)16(20)19-17-18-11-6-13-14(24-8-23-13)7-15(11)25-17/h3-7H,8H2,1-2H3,(H,18,19,20).
What are the key properties of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,4-dimethoxybenzamide?
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,4-dimethoxybenzamide has a molecular weight of 358.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 7189836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).