2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine

C17H24N2OS — CID 43734852

IUPAC2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(C)c1csc(C)n1
InChIInChI=1S/C17H24N2OS/c1-10-6-13-14(7-17(4,5)8-16(13)20-10)18-11(2)15-9-21-12(3)19-15/h6,9,11,14,18H,7-8H2,1-5H3
InChIKeyXFQSJTOFADRCAB-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.72
Rot. Bonds3

About 2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine

2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine (PubChem CID 43734852) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine
PubChem CID43734852
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(C)c1csc(C)n1
InChIInChI=1S/C17H24N2OS/c1-10-6-13-14(7-17(4,5)8-16(13)20-10)18-11(2)15-9-21-12(3)19-15/h6,9,11,14,18H,7-8H2,1-5H3
InChIKeyXFQSJTOFADRCAB-UHFFFAOYSA-N
XLogP4.72
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine?
The IUPAC name of 2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine (CID 43734852) is 2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine?
The canonical SMILES for 2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine is Cc1cc2c(o1)CC(C)(C)CC2NC(C)c1csc(C)n1.
What is the InChIKey of 2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine?
The InChIKey is XFQSJTOFADRCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-10-6-13-14(7-17(4,5)8-16(13)20-10)18-11(2)15-9-21-12(3)19-15/h6,9,11,14,18H,7-8H2,1-5H3.
What are the key properties of 2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine?
2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine has a molecular weight of 304.46 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydro-4H-1-benzofuran-4-amine is sourced from PubChem (CID 43734852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).