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

C15H11N3O3S — CID 2331328

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccncc1
InChIInChI=1S/C15H11N3O3S/c19-14(9-1-3-16-4-2-9)18-15-17-10-7-11-12(8-13(10)22-15)21-6-5-20-11/h1-4,7-8H,5-6H2,(H,17,18,19)
InChIKeyFEEVVWXKPVCPQX-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.71
Rot. Bonds2

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

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-4-carboxamide (PubChem CID 2331328) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-4-carboxamide
PubChem CID2331328
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccncc1
InChIInChI=1S/C15H11N3O3S/c19-14(9-1-3-16-4-2-9)18-15-17-10-7-11-12(8-13(10)22-15)21-6-5-20-11/h1-4,7-8H,5-6H2,(H,17,18,19)
InChIKeyFEEVVWXKPVCPQX-UHFFFAOYSA-N
XLogP2.71
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.71
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)pyridine-4-carboxamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-4-carboxamide (CID 2331328) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-4-carboxamide is O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccncc1.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is FEEVVWXKPVCPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c19-14(9-1-3-16-4-2-9)18-15-17-10-7-11-12(8-13(10)22-15)21-6-5-20-11/h1-4,7-8H,5-6H2,(H,17,18,19).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-4-carboxamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 2.71, 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)pyridine-4-carboxamide is sourced from PubChem (CID 2331328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).