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

C14H12N2O2S — CID 16648841

IUPAC3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1
InChIInChI=1S/C14H12N2O2S/c1-8-3-4-11-10(7-8)9(2)12(18-11)13(17)16-14-15-5-6-19-14/h3-7H,1-2H3,(H,15,16,17)
InChIKeyDXYWDGSQOMJIGT-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.76
Rot. Bonds2

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

3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 16648841) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID16648841
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1
InChIInChI=1S/C14H12N2O2S/c1-8-3-4-11-10(7-8)9(2)12(18-11)13(17)16-14-15-5-6-19-14/h3-7H,1-2H3,(H,15,16,17)
InChIKeyDXYWDGSQOMJIGT-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 16648841) is 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is DXYWDGSQOMJIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-3-4-11-10(7-8)9(2)12(18-11)13(17)16-14-15-5-6-19-14/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16648841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).