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

C14H10N2O4S — CID 7202804

IUPACN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccco1
InChIInChI=1S/C14H10N2O4S/c17-13(9-2-1-3-18-9)16-14-15-8-6-10-11(7-12(8)21-14)20-5-4-19-10/h1-3,6-7H,4-5H2,(H,15,16,17)
InChIKeyURIKFYVIDICCEG-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.91
Rot. Bonds2

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

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 7202804) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide
PubChem CID7202804
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC NameN-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccco1
InChIInChI=1S/C14H10N2O4S/c17-13(9-2-1-3-18-9)16-14-15-8-6-10-11(7-12(8)21-14)20-5-4-19-10/h1-3,6-7H,4-5H2,(H,15,16,17)
InChIKeyURIKFYVIDICCEG-UHFFFAOYSA-N
XLogP2.91
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide with MolForge

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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-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 834435
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 2382005
N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)-2-furancarboxamide
CID 2445991
N-(6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-yl)isobutyramide
CID 5141758
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)thiophene-2-carboxamide
CID 7202770
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)furan-2-carboxamide
CID 7202802

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide (CID 7202804) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccco1.
What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is URIKFYVIDICCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c17-13(9-2-1-3-18-9)16-14-15-8-6-10-11(7-12(8)21-14)20-5-4-19-10/h1-3,6-7H,4-5H2,(H,15,16,17).
What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide?
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 2.91, 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)furan-2-carboxamide is sourced from PubChem (CID 7202804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).