N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide

C15H14N2O3S — CID 844341

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(C)o3)sc2c1
InChIInChI=1S/C15H14N2O3S/c1-3-19-10-5-6-11-13(8-10)21-15(16-11)17-14(18)12-7-4-9(2)20-12/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyFQTGNOWGTSPWLJ-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.85
Rot. Bonds4

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide (PubChem CID 844341) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
PubChem CID844341
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(C)o3)sc2c1
InChIInChI=1S/C15H14N2O3S/c1-3-19-10-5-6-11-13(8-10)21-15(16-11)17-14(18)12-7-4-9(2)20-12/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyFQTGNOWGTSPWLJ-UHFFFAOYSA-N
XLogP3.85
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.85
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)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide (CID 844341) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide is CCOc1ccc2nc(NC(=O)c3ccc(C)o3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide?
The InChIKey is FQTGNOWGTSPWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-3-19-10-5-6-11-13(8-10)21-15(16-11)17-14(18)12-7-4-9(2)20-12/h4-8H,3H2,1-2H3,(H,16,17,18).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 3.85, 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)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 844341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).