2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine

C15H20N2OS — CID 61169660

IUPAC2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NCc1cscn1
InChIInChI=1S/C15H20N2OS/c1-10-4-12-13(16-7-11-8-19-9-17-11)5-15(2,3)6-14(12)18-10/h4,8-9,13,16H,5-7H2,1-3H3
InChIKeyPHLXHEDVURDVAZ-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.85
Rot. Bonds3

About 2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine

2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine (PubChem CID 61169660) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine.

Molecular Properties

Compound Name2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine
PubChem CID61169660
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NCc1cscn1
InChIInChI=1S/C15H20N2OS/c1-10-4-12-13(16-7-11-8-19-9-17-11)5-15(2,3)6-14(12)18-10/h4,8-9,13,16H,5-7H2,1-3H3
InChIKeyPHLXHEDVURDVAZ-UHFFFAOYSA-N
XLogP3.85
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 97008574
CID 97008574
CID 61222626
CID 61222626
CID 113623720
CID 113623720
CID 114730243
CID 114730243
CID 114730249
CID 114730249
CID 114730250
CID 114730250
CID 114730256
CID 114730256
CID 114730257
CID 114730257
CID 121694335
CID 121694335
CID 48086067
CID 48086067
CID 142180510
CID 142180510
CID 43210220
CID 43210220

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine?
The IUPAC name of 2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine (CID 61169660) is 2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine.
What is the SMILES notation for 2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine?
The canonical SMILES for 2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine is Cc1cc2c(o1)CC(C)(C)CC2NCc1cscn1.
What is the InChIKey of 2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine?
The InChIKey is PHLXHEDVURDVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-4-12-13(16-7-11-8-19-9-17-11)5-15(2,3)6-14(12)18-10/h4,8-9,13,16H,5-7H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine?
2,6,6-trimethyl-N-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine has a molecular weight of 276.40 g/mol, XLogP of 3.85, 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-(1,3-thiazol-4-ylmethyl)-5,7-dihydro-4H-1-benzofuran-4-amine is sourced from PubChem (CID 61169660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).