N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide

C13H8N2O4S — CID 7202802

IUPACN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccco1
InChIInChI=1S/C13H8N2O4S/c16-12(8-2-1-3-17-8)15-13-14-7-4-9-10(19-6-18-9)5-11(7)20-13/h1-5H,6H2,(H,14,15,16)
InChIKeyGLLWHIMOHBWLKF-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.87
Rot. Bonds2

About N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide (PubChem CID 7202802) has the molecular formula C13H8N2O4S and a molecular weight of 288.28 g/mol. Its IUPAC name is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide
PubChem CID7202802
Molecular FormulaC13H8N2O4S
Molecular Weight288.28 g/mol
Exact Mass288.02
IUPAC NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccco1
InChIInChI=1S/C13H8N2O4S/c16-12(8-2-1-3-17-8)15-13-14-7-4-9-10(19-6-18-9)5-11(7)20-13/h1-5H,6H2,(H,14,15,16)
InChIKeyGLLWHIMOHBWLKF-UHFFFAOYSA-N
XLogP2.87
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 952238
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
1-[2-([1,3]Dioxolo[4,5-f][1,3]benzothiazol-6-ylamino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 7110089
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide
CID 7202770
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide
CID 7202804
Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester
CID 649275
N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-furancarboxamide
CID 875146
N-{[(6-fluoro-1,3-benzothiazol-2-yl)amino]carbonothioyl}-2-furamide
CID 953520
N-(4-fluorobenzo[d]thiazol-2-yl)furan-2-carboxamide
CID 2159215

Frequently Asked Questions

What is the IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide?
The IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide (CID 7202802) is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide.
What is the SMILES notation for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide?
The canonical SMILES for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide is O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccco1.
What is the InChIKey of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide?
The InChIKey is GLLWHIMOHBWLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O4S/c16-12(8-2-1-3-17-8)15-13-14-7-4-9-10(19-6-18-9)5-11(7)20-13/h1-5H,6H2,(H,14,15,16).
What are the key properties of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide?
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide has a molecular weight of 288.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide is sourced from PubChem (CID 7202802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).