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

C12H16N2OS — CID 62346325

IUPACN-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2ccc(CC)o2)n1
InChIInChI=1S/C12H16N2OS/c1-3-10-5-6-11(15-10)12-14-9(8-16-12)7-13-4-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyDGYCLNXLEQECJZ-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.08
Rot. Bonds5

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

N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 62346325) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID62346325
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2ccc(CC)o2)n1
InChIInChI=1S/C12H16N2OS/c1-3-10-5-6-11(15-10)12-14-9(8-16-12)7-13-4-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyDGYCLNXLEQECJZ-UHFFFAOYSA-N
XLogP3.08
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 62346325) is N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(-c2ccc(CC)o2)n1.
What is the InChIKey of N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is DGYCLNXLEQECJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-10-5-6-11(15-10)12-14-9(8-16-12)7-13-4-2/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-ethylfuran-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 62346325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).