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

C10H8N2O3S — CID 5310257

IUPACN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide
SMILESCC(=O)Nc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C10H8N2O3S/c1-5(13)11-10-12-6-2-7-8(15-4-14-7)3-9(6)16-10/h2-3H,4H2,1H3,(H,11,12,13)
InChIKeyGHHCOWNHIDMODL-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.98
Rot. Bonds1

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

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide (PubChem CID 5310257) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide.

Molecular Properties

Compound NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide
PubChem CID5310257
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide
SMILESCC(=O)Nc1nc2cc3c(cc2s1)OCO3
InChIInChI=1S/C10H8N2O3S/c1-5(13)11-10-12-6-2-7-8(15-4-14-7)3-9(6)16-10/h2-3H,4H2,1H3,(H,11,12,13)
InChIKeyGHHCOWNHIDMODL-UHFFFAOYSA-N
XLogP1.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-N'-propan-2-yloxamide
CID 154847688
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)thietane-3-carboxamide
CID 167949704
N,N'-bis([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)nonanediamide
CID 43989385
1-(3,5-dimethylphenyl)-3-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)urea
CID 121080957
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)pentanamide
CID 7202944
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylbenzamide
CID 7189878
1-[2-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 7110089
(2R)-2-acetamido-N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)propanamide
CID 92830094
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 40959861
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)-4-propan-2-ylsulfanylbenzamide
CID 41147694
3-chloro-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 7202716

Frequently Asked Questions

What is the IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide?
The IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide (CID 5310257) is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide.
What is the SMILES notation for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide?
The canonical SMILES for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide is CC(=O)Nc1nc2cc3c(cc2s1)OCO3.
What is the InChIKey of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide?
The InChIKey is GHHCOWNHIDMODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c1-5(13)11-10-12-6-2-7-8(15-4-14-7)3-9(6)16-10/h2-3H,4H2,1H3,(H,11,12,13).
What are the key properties of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide?
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide has a molecular weight of 236.25 g/mol, XLogP of 1.98, 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)acetamide is sourced from PubChem (CID 5310257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).