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

C14H14N2O3S — CID 17451313

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC3=NCCS3)c(C)c2c1
InChIInChI=1S/C14H14N2O3S/c1-8-10-7-9(18-2)3-4-11(10)19-12(8)13(17)16-14-15-5-6-20-14/h3-4,7H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyLZCLDOVEJFFNRG-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.58
Rot. Bonds2

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 17451313) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID17451313
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC3=NCCS3)c(C)c2c1
InChIInChI=1S/C14H14N2O3S/c1-8-10-7-9(18-2)3-4-11(10)19-12(8)13(17)16-14-15-5-6-20-14/h3-4,7H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyLZCLDOVEJFFNRG-UHFFFAOYSA-N
XLogP2.58
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-methoxy-3-methyl-N-(1-methylpyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 8810753
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144
N-cyclohexyl-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2671520
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
N-(2-hydroxy-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473856
N-(cyclohexylmethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2644358
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149
N-[4-(2-hydroxyethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922986
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7534992
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 17451313) is N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NC3=NCCS3)c(C)c2c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is LZCLDOVEJFFNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-8-10-7-9(18-2)3-4-11(10)19-12(8)13(17)16-14-15-5-6-20-14/h3-4,7H,5-6H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17451313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).