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

C17H22N2OS — CID 105019891

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1nc(C)c(C)s1)c1ccc2c(c1)COC2
InChIInChI=1S/C17H22N2OS/c1-4-18-16(8-17-19-11(2)12(3)21-17)13-5-6-14-9-20-10-15(14)7-13/h5-7,16,18H,4,8-10H2,1-3H3
InChIKeyLLINLYZSPSVBGJ-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.68
Rot. Bonds5

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

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine (PubChem CID 105019891) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
PubChem CID105019891
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1nc(C)c(C)s1)c1ccc2c(c1)COC2
InChIInChI=1S/C17H22N2OS/c1-4-18-16(8-17-19-11(2)12(3)21-17)13-5-6-14-9-20-10-15(14)7-13/h5-7,16,18H,4,8-10H2,1-3H3
InChIKeyLLINLYZSPSVBGJ-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine (CID 105019891) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine is CCNC(Cc1nc(C)c(C)s1)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine?
The InChIKey is LLINLYZSPSVBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-4-18-16(8-17-19-11(2)12(3)21-17)13-5-6-14-9-20-10-15(14)7-13/h5-7,16,18H,4,8-10H2,1-3H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine has a molecular weight of 302.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine is sourced from PubChem (CID 105019891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).