1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine

C14H20N2O2S — CID 119106924

IUPAC1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCC(C)COCC(NCc1cscn1)c1ccco1
InChIInChI=1S/C14H20N2O2S/c1-11(2)7-17-8-13(14-4-3-5-18-14)15-6-12-9-19-10-16-12/h3-5,9-11,13,15H,6-8H2,1-2H3
InChIKeyNASPCDBAFPXVNS-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.24
Rot. Bonds8

About 1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine

1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 119106924) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID119106924
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCC(C)COCC(NCc1cscn1)c1ccco1
InChIInChI=1S/C14H20N2O2S/c1-11(2)7-17-8-13(14-4-3-5-18-14)15-6-12-9-19-10-16-12/h3-5,9-11,13,15H,6-8H2,1-2H3
InChIKeyNASPCDBAFPXVNS-UHFFFAOYSA-N
XLogP3.24
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 119106924) is 1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine is CC(C)COCC(NCc1cscn1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is NASPCDBAFPXVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11(2)7-17-8-13(14-4-3-5-18-14)15-6-12-9-19-10-16-12/h3-5,9-11,13,15H,6-8H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine?
1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 280.39 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(2-methylpropoxy)-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 119106924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).