N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide

C11H10N2O3S — CID 4683299

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C11H10N2O3S/c1-6(14)12-11-13-7-4-8-9(5-10(7)17-11)16-3-2-15-8/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyJTHFSVJYLTYUDH-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.03
Rot. Bonds1

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide (PubChem CID 4683299) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide
PubChem CID4683299
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C11H10N2O3S/c1-6(14)12-11-13-7-4-8-9(5-10(7)17-11)16-3-2-15-8/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyJTHFSVJYLTYUDH-UHFFFAOYSA-N
XLogP2.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide (CID 4683299) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide is CC(=O)Nc1nc2cc3c(cc2s1)OCCO3.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide?
The InChIKey is JTHFSVJYLTYUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-6(14)12-11-13-7-4-8-9(5-10(7)17-11)16-3-2-15-8/h4-5H,2-3H2,1H3,(H,12,13,14).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide has a molecular weight of 250.28 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)acetamide is sourced from PubChem (CID 4683299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).