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

C13H15F3N2OS — CID 106785710

IUPACN-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCCNC(CCc1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H15F3N2OS/c1-2-17-10(6-5-9-4-3-7-19-9)11-8-18-12(20-11)13(14,15)16/h3-4,7-8,10,17H,2,5-6H2,1H3
InChIKeyXUWGQHQGJCLVQB-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.04
Rot. Bonds6

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

N-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106785710) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is N-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106785710
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC NameN-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCCNC(CCc1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H15F3N2OS/c1-2-17-10(6-5-9-4-3-7-19-9)11-8-18-12(20-11)13(14,15)16/h3-4,7-8,10,17H,2,5-6H2,1H3
InChIKeyXUWGQHQGJCLVQB-UHFFFAOYSA-N
XLogP4.04
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of N-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106785710) is N-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for N-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is CCNC(CCc1ccco1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is XUWGQHQGJCLVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS/c1-2-17-10(6-5-9-4-3-7-19-9)11-8-18-12(20-11)13(14,15)16/h3-4,7-8,10,17H,2,5-6H2,1H3.
What are the key properties of N-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
N-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 304.34 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(furan-2-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106785710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).