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

C11H10N2O4S — CID 817755

IUPACmethyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C11H10N2O4S/c1-15-11(14)13-10-12-6-4-7-8(5-9(6)18-10)17-3-2-16-7/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyISHLNFPZQZWXDF-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.25
Rot. Bonds1

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

methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate (PubChem CID 817755) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate
PubChem CID817755
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Namemethyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2cc3c(cc2s1)OCCO3
InChIInChI=1S/C11H10N2O4S/c1-15-11(14)13-10-12-6-4-7-8(5-9(6)18-10)17-3-2-16-7/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyISHLNFPZQZWXDF-UHFFFAOYSA-N
XLogP2.25
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate?
The IUPAC name of methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate (CID 817755) is methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate?
The canonical SMILES for methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate is COC(=O)Nc1nc2cc3c(cc2s1)OCCO3.
What is the InChIKey of methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate?
The InChIKey is ISHLNFPZQZWXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c1-15-11(14)13-10-12-6-4-7-8(5-9(6)18-10)17-3-2-16-7/h4-5H,2-3H2,1H3,(H,12,13,14).
What are the key properties of methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate?
methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate has a molecular weight of 266.28 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate is sourced from PubChem (CID 817755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).