5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

C14H21N3OS — CID 79771182

IUPAC5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(CC)Cc2ccco2)s1
InChIInChI=1S/C14H21N3OS/c1-3-7-15-14-16-9-13(19-14)11-17(4-2)10-12-6-5-8-18-12/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16)
InChIKeyYSALORJZASAQCN-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.58
Rot. Bonds8

About 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine

5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 79771182) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
PubChem CID79771182
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(CN(CC)Cc2ccco2)s1
InChIInChI=1S/C14H21N3OS/c1-3-7-15-14-16-9-13(19-14)11-17(4-2)10-12-6-5-8-18-12/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16)
InChIKeyYSALORJZASAQCN-UHFFFAOYSA-N
XLogP3.58
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-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 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine (CID 79771182) is 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(CN(CC)Cc2ccco2)s1.
What is the InChIKey of 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is YSALORJZASAQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-3-7-15-14-16-9-13(19-14)11-17(4-2)10-12-6-5-8-18-12/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,15,16).
What are the key properties of 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine?
5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(furan-2-ylmethyl)amino]methyl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79771182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).