1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine

C16H20N2OS — CID 105019626

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1nc(C)c(C)s1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H20N2OS/c1-10-11(2)20-16(18-10)9-14(17-3)12-4-5-15-13(8-12)6-7-19-15/h4-5,8,14,17H,6-7,9H2,1-3H3
InChIKeyZAVIRYZEBGNOIU-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.20
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine (PubChem CID 105019626) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
PubChem CID105019626
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
SMILESCNC(Cc1nc(C)c(C)s1)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H20N2OS/c1-10-11(2)20-16(18-10)9-14(17-3)12-4-5-15-13(8-12)6-7-19-15/h4-5,8,14,17H,6-7,9H2,1-3H3
InChIKeyZAVIRYZEBGNOIU-UHFFFAOYSA-N
XLogP3.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019746
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019704
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethanamine
CID 63044758
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105180217
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064792
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997578
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106848898
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(1,3-dioxolan-2-yl)-N-methylethanamine
CID 103547142
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpent-3-yn-1-amine
CID 115819330
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylnonan-1-amine
CID 65450080

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine (CID 105019626) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine is CNC(Cc1nc(C)c(C)s1)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
The InChIKey is ZAVIRYZEBGNOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-11(2)20-16(18-10)9-14(17-3)12-4-5-15-13(8-12)6-7-19-15/h4-5,8,14,17H,6-7,9H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine has a molecular weight of 288.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine is sourced from PubChem (CID 105019626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).