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

C13H14N2O3S — CID 7202949

IUPACN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C13H14N2O3S/c1-13(2,3)11(16)15-12-14-7-4-8-9(18-6-17-8)5-10(7)19-12/h4-5H,6H2,1-3H3,(H,14,15,16)
InChIKeyMMIJKEYDBFUADN-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.01
Rot. Bonds1

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

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide (PubChem CID 7202949) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide
PubChem CID7202949
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C13H14N2O3S/c1-13(2,3)11(16)15-12-14-7-4-8-9(18-6-17-8)5-10(7)19-12/h4-5H,6H2,1-3H3,(H,14,15,16)
InChIKeyMMIJKEYDBFUADN-UHFFFAOYSA-N
XLogP3.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.01
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)-2,2-dimethylpropanamide?
The IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide (CID 7202949) is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc2cc3c(cc2s1)OCO3.
What is the InChIKey of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide?
The InChIKey is MMIJKEYDBFUADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-13(2,3)11(16)15-12-14-7-4-8-9(18-6-17-8)5-10(7)19-12/h4-5H,6H2,1-3H3,(H,14,15,16).
What are the key properties of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide?
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2,2-dimethylpropanamide has a molecular weight of 278.33 g/mol, XLogP of 3.01, 1 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 7202949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).