(6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine

C14H14N2O2S — CID 64993209

IUPAC(6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
SMILESCOc1ccc2c(C)c(C(N)c3nccs3)oc2c1
InChIInChI=1S/C14H14N2O2S/c1-8-10-4-3-9(17-2)7-11(10)18-13(8)12(15)14-16-5-6-19-14/h3-7,12H,15H2,1-2H3
InChIKeyJQAXRPMOSNIFFG-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.25
Rot. Bonds3

About (6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine

(6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine (PubChem CID 64993209) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is (6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
PubChem CID64993209
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name(6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine
SMILESCOc1ccc2c(C)c(C(N)c3nccs3)oc2c1
InChIInChI=1S/C14H14N2O2S/c1-8-10-4-3-9(17-2)7-11(10)18-13(8)12(15)14-16-5-6-19-14/h3-7,12H,15H2,1-2H3
InChIKeyJQAXRPMOSNIFFG-UHFFFAOYSA-N
XLogP3.25
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of (6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine (CID 64993209) is (6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine is COc1ccc2c(C)c(C(N)c3nccs3)oc2c1.
What is the InChIKey of (6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine?
The InChIKey is JQAXRPMOSNIFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8-10-4-3-9(17-2)7-11(10)18-13(8)12(15)14-16-5-6-19-14/h3-7,12H,15H2,1-2H3.
What are the key properties of (6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine?
(6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine has a molecular weight of 274.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-methyl-1-benzofuran-2-yl)-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 64993209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).