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

C13H16N2OS — CID 43210220

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCc1nc(CNC2CCCc3occc32)cs1
InChIInChI=1S/C13H16N2OS/c1-9-15-10(8-17-9)7-14-12-3-2-4-13-11(12)5-6-16-13/h5-6,8,12,14H,2-4,7H2,1H3
InChIKeyGSQRYQWINZEVEY-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.21
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 43210220) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID43210220
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESCc1nc(CNC2CCCc3occc32)cs1
InChIInChI=1S/C13H16N2OS/c1-9-15-10(8-17-9)7-14-12-3-2-4-13-11(12)5-6-16-13/h5-6,8,12,14H,2-4,7H2,1H3
InChIKeyGSQRYQWINZEVEY-UHFFFAOYSA-N
XLogP3.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-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

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 43210220) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is Cc1nc(CNC2CCCc3occc32)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is GSQRYQWINZEVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-15-10(8-17-9)7-14-12-3-2-4-13-11(12)5-6-16-13/h5-6,8,12,14H,2-4,7H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 248.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 43210220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).