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

C11H11F3N2OS — CID 113497301

IUPACN-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccoc2)nc1C(F)(F)F
InChIInChI=1S/C11H11F3N2OS/c1-2-15-5-8-9(11(12,13)14)16-10(18-8)7-3-4-17-6-7/h3-4,6,15H,2,5H2,1H3
InChIKeySYAGYXZQSPAOHP-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.53
Rot. Bonds4

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

N-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 113497301) has the molecular formula C11H11F3N2OS and a molecular weight of 276.28 g/mol. Its IUPAC name is N-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID113497301
Molecular FormulaC11H11F3N2OS
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC NameN-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccoc2)nc1C(F)(F)F
InChIInChI=1S/C11H11F3N2OS/c1-2-15-5-8-9(11(12,13)14)16-10(18-8)7-3-4-17-6-7/h3-4,6,15H,2,5H2,1H3
InChIKeySYAGYXZQSPAOHP-UHFFFAOYSA-N
XLogP3.53
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 113497301) is N-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccoc2)nc1C(F)(F)F.
What is the InChIKey of N-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is SYAGYXZQSPAOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2OS/c1-2-15-5-8-9(11(12,13)14)16-10(18-8)7-3-4-17-6-7/h3-4,6,15H,2,5H2,1H3.
What are the key properties of N-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 276.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-3-yl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 113497301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).