furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C9H7F3N2OS — CID 106783174

IUPACfuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H7F3N2OS/c10-9(11,12)8-14-4-6(16-8)7(13)5-2-1-3-15-5/h1-4,7H,13H2
InChIKeyWSLXNLLWJLNSLC-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.80
Rot. Bonds2

About furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783174) has the molecular formula C9H7F3N2OS and a molecular weight of 248.23 g/mol. Its IUPAC name is furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Namefuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783174
Molecular FormulaC9H7F3N2OS
Molecular Weight248.23 g/mol
Exact Mass248.02
IUPAC Namefuran-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESNC(c1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H7F3N2OS/c10-9(11,12)8-14-4-6(16-8)7(13)5-2-1-3-15-5/h1-4,7H,13H2
InChIKeyWSLXNLLWJLNSLC-UHFFFAOYSA-N
XLogP2.80
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783174) is furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is NC(c1ccco1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is WSLXNLLWJLNSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS/c10-9(11,12)8-14-4-6(16-8)7(13)5-2-1-3-15-5/h1-4,7H,13H2.
What are the key properties of furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 248.23 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).