1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine

C14H20N2OS — CID 64539114

IUPAC1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2sc(C)nc2C)c(C)o1
InChIInChI=1S/C14H20N2OS/c1-8-6-13(11(4)17-8)9(2)15-7-14-10(3)16-12(5)18-14/h6,9,15H,7H2,1-5H3
InChIKeyJZZJPSKUDXEDEN-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.82
Rot. Bonds4

About 1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine

1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 64539114) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID64539114
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1cc(C(C)NCc2sc(C)nc2C)c(C)o1
InChIInChI=1S/C14H20N2OS/c1-8-6-13(11(4)17-8)9(2)15-7-14-10(3)16-12(5)18-14/h6,9,15H,7H2,1-5H3
InChIKeyJZZJPSKUDXEDEN-UHFFFAOYSA-N
XLogP3.82
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine 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 1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 64539114) is 1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1cc(C(C)NCc2sc(C)nc2C)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is JZZJPSKUDXEDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-8-6-13(11(4)17-8)9(2)15-7-14-10(3)16-12(5)18-14/h6,9,15H,7H2,1-5H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine?
1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 264.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 64539114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).