N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

C14H12N2O3S — CID 739343

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C14H12N2O3S/c1-2-18-9-5-6-10-12(8-9)20-14(15-10)16-13(17)11-4-3-7-19-11/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyFVRPGDIBMHBTHA-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.54
Rot. Bonds4

About N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 739343) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID739343
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C14H12N2O3S/c1-2-18-9-5-6-10-12(8-9)20-14(15-10)16-13(17)11-4-3-7-19-11/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyFVRPGDIBMHBTHA-UHFFFAOYSA-N
XLogP3.54
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 739343) is N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is CCOc1ccc2nc(NC(=O)c3ccco3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is FVRPGDIBMHBTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-2-18-9-5-6-10-12(8-9)20-14(15-10)16-13(17)11-4-3-7-19-11/h3-8H,2H2,1H3,(H,15,16,17).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 739343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).