5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

C13H10N2O2S — CID 17015871

IUPAC5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3nccs3)cc2c1
InChIInChI=1S/C13H10N2O2S/c1-8-2-3-10-9(6-8)7-11(17-10)12(16)15-13-14-4-5-18-13/h2-7H,1H3,(H,14,15,16)
InChIKeyAWYZELMYQPDUSW-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.45
Rot. Bonds2

About 5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 17015871) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID17015871
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3nccs3)cc2c1
InChIInChI=1S/C13H10N2O2S/c1-8-2-3-10-9(6-8)7-11(17-10)12(16)15-13-14-4-5-18-13/h2-7H,1H3,(H,14,15,16)
InChIKeyAWYZELMYQPDUSW-UHFFFAOYSA-N
XLogP3.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 17015871) is 5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)Nc3nccs3)cc2c1.
What is the InChIKey of 5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is AWYZELMYQPDUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-8-2-3-10-9(6-8)7-11(17-10)12(16)15-13-14-4-5-18-13/h2-7H,1H3,(H,14,15,16).
What are the key properties of 5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17015871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).