1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine

C16H20N2O2S — CID 115349548

IUPAC1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(-c2cc3c(cc2OC)CC(C)O3)n1
InChIInChI=1S/C16H20N2O2S/c1-9-5-11-6-15(19-4)12(7-14(11)20-9)16-18-13(8-21-16)10(2)17-3/h6-10,17H,5H2,1-4H3
InChIKeyHFNUDILDXPRRKK-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.42
Rot. Bonds4

About 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine

1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 115349548) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID115349548
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1csc(-c2cc3c(cc2OC)CC(C)O3)n1
InChIInChI=1S/C16H20N2O2S/c1-9-5-11-6-15(19-4)12(7-14(11)20-9)16-18-13(8-21-16)10(2)17-3/h6-10,17H,5H2,1-4H3
InChIKeyHFNUDILDXPRRKK-UHFFFAOYSA-N
XLogP3.42
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 115349548) is 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine is CNC(C)c1csc(-c2cc3c(cc2OC)CC(C)O3)n1.
What is the InChIKey of 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is HFNUDILDXPRRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-9-5-11-6-15(19-4)12(7-14(11)20-9)16-18-13(8-21-16)10(2)17-3/h6-10,17H,5H2,1-4H3.
What are the key properties of 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine?
1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 304.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 115349548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).