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

C13H14N2O3S — CID 7202944

IUPACN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide
SMILESCCCCC(=O)Nc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C13H14N2O3S/c1-2-3-4-12(16)15-13-14-8-5-9-10(18-7-17-9)6-11(8)19-13/h5-6H,2-4,7H2,1H3,(H,14,15,16)
InChIKeyXBOGSVVGCMELQR-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.15
Rot. Bonds4

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

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide (PubChem CID 7202944) 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)pentanamide.

Molecular Properties

Compound NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide
PubChem CID7202944
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide
SMILESCCCCC(=O)Nc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C13H14N2O3S/c1-2-3-4-12(16)15-13-14-8-5-9-10(18-7-17-9)6-11(8)19-13/h5-6H,2-4,7H2,1H3,(H,14,15,16)
InChIKeyXBOGSVVGCMELQR-UHFFFAOYSA-N
XLogP3.15
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)nonanediamide
CID 43989385
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide
CID 5310257
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-phenylsulfanylbutanamide
CID 41085947
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-(4-fluorophenyl)sulfonylbutanamide
CID 41274562
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(4-methylphenoxy)propanamide
CID 167825990
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-phenylsulfanylpropanamide
CID 7203054
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362715
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-N'-propan-2-yloxamide
CID 154847688
4-(benzenesulfonyl)-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)butanamide
CID 18585764
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)thietane-3-carboxamide
CID 167949704
1-(3,5-dimethylphenyl)-3-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)urea
CID 121080957
N-(6-bromo-1,3-benzothiazol-2-yl)hexanamide
CID 5058354

Frequently Asked Questions

What is the IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide?
The IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide (CID 7202944) is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide.
What is the SMILES notation for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide?
The canonical SMILES for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide is CCCCC(=O)Nc1nc2cc3c(cc2s1)OCO3.
What is the InChIKey of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide?
The InChIKey is XBOGSVVGCMELQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-2-3-4-12(16)15-13-14-8-5-9-10(18-7-17-9)6-11(8)19-13/h5-6H,2-4,7H2,1H3,(H,14,15,16).
What are the key properties of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide?
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide has a molecular weight of 278.33 g/mol, XLogP of 3.15, 4 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)pentanamide is sourced from PubChem (CID 7202944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).