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

C12H13F3N2OS — CID 106785696

IUPAC3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNC(CCc1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H13F3N2OS/c1-16-9(5-4-8-3-2-6-18-8)10-7-17-11(19-10)12(13,14)15/h2-3,6-7,9,16H,4-5H2,1H3
InChIKeyLLTCTMDNNNXSLY-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.65
Rot. Bonds5

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

3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106785696) has the molecular formula C12H13F3N2OS and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106785696
Molecular FormulaC12H13F3N2OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC Name3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNC(CCc1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H13F3N2OS/c1-16-9(5-4-8-3-2-6-18-8)10-7-17-11(19-10)12(13,14)15/h2-3,6-7,9,16H,4-5H2,1H3
InChIKeyLLTCTMDNNNXSLY-UHFFFAOYSA-N
XLogP3.65
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106785696) is 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is CNC(CCc1ccco1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is LLTCTMDNNNXSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OS/c1-16-9(5-4-8-3-2-6-18-8)10-7-17-11(19-10)12(13,14)15/h2-3,6-7,9,16H,4-5H2,1H3.
What are the key properties of 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 290.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106785696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).