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

C12H12N2O3S — CID 7202938

IUPACN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C12H12N2O3S/c1-6(2)11(15)14-12-13-7-3-8-9(17-5-16-8)4-10(7)18-12/h3-4,6H,5H2,1-2H3,(H,13,14,15)
InChIKeyGHJQGEOHEFEHJT-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.62
Rot. Bonds2

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

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylpropanamide (PubChem CID 7202938) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylpropanamide
PubChem CID7202938
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C12H12N2O3S/c1-6(2)11(15)14-12-13-7-3-8-9(17-5-16-8)4-10(7)18-12/h3-4,6H,5H2,1-2H3,(H,13,14,15)
InChIKeyGHJQGEOHEFEHJT-UHFFFAOYSA-N
XLogP2.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylpropanamide?
The IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylpropanamide (CID 7202938) is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylpropanamide.
What is the SMILES notation for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylpropanamide?
The canonical SMILES for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylpropanamide is CC(C)C(=O)Nc1nc2cc3c(cc2s1)OCO3.
What is the InChIKey of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylpropanamide?
The InChIKey is GHJQGEOHEFEHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-6(2)11(15)14-12-13-7-3-8-9(17-5-16-8)4-10(7)18-12/h3-4,6H,5H2,1-2H3,(H,13,14,15).
What are the key properties of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylpropanamide?
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylpropanamide has a molecular weight of 264.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylpropanamide is sourced from PubChem (CID 7202938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).