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

C18H14N2O4S — CID 154747635

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)C1Cc2ccccc2O1
InChIInChI=1S/C18H14N2O4S/c21-17(15-7-10-3-1-2-4-12(10)24-15)20-18-19-11-8-13-14(9-16(11)25-18)23-6-5-22-13/h1-4,8-9,15H,5-7H2,(H,19,20,21)
InChIKeyYCKQFDAWXILDPG-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.01
Rot. Bonds2

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

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 154747635) has the molecular formula C18H14N2O4S and a molecular weight of 354.39 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID154747635
Molecular FormulaC18H14N2O4S
Molecular Weight354.39 g/mol
Exact Mass354.07
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)C1Cc2ccccc2O1
InChIInChI=1S/C18H14N2O4S/c21-17(15-7-10-3-1-2-4-12(10)24-15)20-18-19-11-8-13-14(9-16(11)25-18)23-6-5-22-13/h1-4,8-9,15H,5-7H2,(H,19,20,21)
InChIKeyYCKQFDAWXILDPG-UHFFFAOYSA-N
XLogP3.01
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 154747635) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1Cc2ccccc2O1.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is YCKQFDAWXILDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4S/c21-17(15-7-10-3-1-2-4-12(10)24-15)20-18-19-11-8-13-14(9-16(11)25-18)23-6-5-22-13/h1-4,8-9,15H,5-7H2,(H,19,20,21).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 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)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 154747635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).