5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

C15H14N2O3S — CID 7770827

IUPAC5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3nc(C)cs3)c(C)c2c1
InChIInChI=1S/C15H14N2O3S/c1-8-7-21-15(16-8)17-14(18)13-9(2)11-6-10(19-3)4-5-12(11)20-13/h4-7H,1-3H3,(H,16,17,18)
InChIKeyNNABLHLECKFPRN-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.77
Rot. Bonds3

About 5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 7770827) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID7770827
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3nc(C)cs3)c(C)c2c1
InChIInChI=1S/C15H14N2O3S/c1-8-7-21-15(16-8)17-14(18)13-9(2)11-6-10(19-3)4-5-12(11)20-13/h4-7H,1-3H3,(H,16,17,18)
InChIKeyNNABLHLECKFPRN-UHFFFAOYSA-N
XLogP3.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 7770827) is 5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3nc(C)cs3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is NNABLHLECKFPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-8-7-21-15(16-8)17-14(18)13-9(2)11-6-10(19-3)4-5-12(11)20-13/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of 5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7770827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).