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

C12H13F3N2OS — CID 106783673

IUPACN-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)c1occc1C
InChIInChI=1S/C12H13F3N2OS/c1-3-16-9(10-7(2)4-5-18-10)8-6-17-11(19-8)12(13,14)15/h4-6,9,16H,3H2,1-2H3
InChIKeyHQMKNHUCSIQCEF-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.76
Rot. Bonds4

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

N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106783673) has the molecular formula C12H13F3N2OS and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106783673
Molecular FormulaC12H13F3N2OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC NameN-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cnc(C(F)(F)F)s1)c1occc1C
InChIInChI=1S/C12H13F3N2OS/c1-3-16-9(10-7(2)4-5-18-10)8-6-17-11(19-8)12(13,14)15/h4-6,9,16H,3H2,1-2H3
InChIKeyHQMKNHUCSIQCEF-UHFFFAOYSA-N
XLogP3.76
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106783673) is N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1cnc(C(F)(F)F)s1)c1occc1C.
What is the InChIKey of N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is HQMKNHUCSIQCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OS/c1-3-16-9(10-7(2)4-5-18-10)8-6-17-11(19-8)12(13,14)15/h4-6,9,16H,3H2,1-2H3.
What are the key properties of N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 290.31 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106783673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).