3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide

C17H18N2O2S — CID 24793813

IUPAC3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1csc(CNC(=O)c2oc3c(C)c(C)ccc3c2C)n1
InChIInChI=1S/C17H18N2O2S/c1-9-5-6-13-12(4)16(21-15(13)11(9)3)17(20)18-7-14-19-10(2)8-22-14/h5-6,8H,7H2,1-4H3,(H,18,20)
InChIKeyCAKHDOWOOHQOPT-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.05
Rot. Bonds3

About 3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide

3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 24793813) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID24793813
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1csc(CNC(=O)c2oc3c(C)c(C)ccc3c2C)n1
InChIInChI=1S/C17H18N2O2S/c1-9-5-6-13-12(4)16(21-15(13)11(9)3)17(20)18-7-14-19-10(2)8-22-14/h5-6,8H,7H2,1-4H3,(H,18,20)
InChIKeyCAKHDOWOOHQOPT-UHFFFAOYSA-N
XLogP4.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 24793813) is 3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide is Cc1csc(CNC(=O)c2oc3c(C)c(C)ccc3c2C)n1.
What is the InChIKey of 3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is CAKHDOWOOHQOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-9-5-6-13-12(4)16(21-15(13)11(9)3)17(20)18-7-14-19-10(2)8-22-14/h5-6,8H,7H2,1-4H3,(H,18,20).
What are the key properties of 3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24793813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).