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

C16H22N2OS — CID 43734843

IUPAC2,6,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NCc1csc(C)n1
InChIInChI=1S/C16H22N2OS/c1-10-5-13-14(6-16(3,4)7-15(13)19-10)17-8-12-9-20-11(2)18-12/h5,9,14,17H,6-8H2,1-4H3
InChIKeyABXSQVPBQYTHAT-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.16
Rot. Bonds3

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

2,6,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine (PubChem CID 43734843) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2,6,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine
PubChem CID43734843
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2,6,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NCc1csc(C)n1
InChIInChI=1S/C16H22N2OS/c1-10-5-13-14(6-16(3,4)7-15(13)19-10)17-8-12-9-20-11(2)18-12/h5,9,14,17H,6-8H2,1-4H3
InChIKeyABXSQVPBQYTHAT-UHFFFAOYSA-N
XLogP4.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.16
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-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine?
The IUPAC name of 2,6,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine (CID 43734843) is 2,6,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine?
The canonical SMILES for 2,6,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine is Cc1cc2c(o1)CC(C)(C)CC2NCc1csc(C)n1.
What is the InChIKey of 2,6,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine?
The InChIKey is ABXSQVPBQYTHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-10-5-13-14(6-16(3,4)7-15(13)19-10)17-8-12-9-20-11(2)18-12/h5,9,14,17H,6-8H2,1-4H3.
What are the key properties of 2,6,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine?
2,6,6-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine has a molecular weight of 290.43 g/mol, XLogP of 4.16, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]-5,7-dihydro-4H-1-benzofuran-4-amine is sourced from PubChem (CID 43734843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).