8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide

C16H12N4O3S2 — CID 126512118

IUPAC8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide
SMILESNC(=O)c1ccc(Oc2sc(C(N)=O)c3c2-c2sncc2CC3)cn1
InChIInChI=1S/C16H12N4O3S2/c17-14(21)10-4-2-8(6-19-10)23-16-11-9(13(24-16)15(18)22)3-1-7-5-20-25-12(7)11/h2,4-6H,1,3H2,(H2,17,21)(H2,18,22)
InChIKeyFWXRRJODQJLGKY-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.36
Rot. Bonds4

About 8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide

8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide (PubChem CID 126512118) has the molecular formula C16H12N4O3S2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide.

Molecular Properties

Compound Name8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide
PubChem CID126512118
Molecular FormulaC16H12N4O3S2
Molecular Weight372.43 g/mol
Exact Mass372.04
IUPAC Name8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide
SMILESNC(=O)c1ccc(Oc2sc(C(N)=O)c3c2-c2sncc2CC3)cn1
InChIInChI=1S/C16H12N4O3S2/c17-14(21)10-4-2-8(6-19-10)23-16-11-9(13(24-16)15(18)22)3-1-7-5-20-25-12(7)11/h2,4-6H,1,3H2,(H2,17,21)(H2,18,22)
InChIKeyFWXRRJODQJLGKY-UHFFFAOYSA-N
XLogP2.36
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide?
The IUPAC name of 8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide (CID 126512118) is 8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide.
What is the SMILES notation for 8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide?
The canonical SMILES for 8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide is NC(=O)c1ccc(Oc2sc(C(N)=O)c3c2-c2sncc2CC3)cn1.
What is the InChIKey of 8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide?
The InChIKey is FWXRRJODQJLGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3S2/c17-14(21)10-4-2-8(6-19-10)23-16-11-9(13(24-16)15(18)22)3-1-7-5-20-25-12(7)11/h2,4-6H,1,3H2,(H2,17,21)(H2,18,22).
What are the key properties of 8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide?
8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-carbamoyl-3-pyridinyl)oxy]-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide is sourced from PubChem (CID 126512118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).