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

C11H11F3N2S2 — CID 113497297

IUPACN-[[2-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccsc2)nc1C(F)(F)F
InChIInChI=1S/C11H11F3N2S2/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
InChIKeyNHIVQRZKYLMNME-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.00
Rot. Bonds4

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

N-[[2-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 113497297) has the molecular formula C11H11F3N2S2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-[[2-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID113497297
Molecular FormulaC11H11F3N2S2
Molecular Weight292.35 g/mol
Exact Mass292.03
IUPAC NameN-[[2-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccsc2)nc1C(F)(F)F
InChIInChI=1S/C11H11F3N2S2/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
InChIKeyNHIVQRZKYLMNME-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 113497297) is N-[[2-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccsc2)nc1C(F)(F)F.
What is the InChIKey of N-[[2-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is NHIVQRZKYLMNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2S2/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-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 292.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-thiophen-3-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 113497297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).