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

C17H15F3N2OS — CID 53273428

IUPACN-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(-c2cnc(CNCc3ccccc3C(F)(F)F)s2)o1
InChIInChI=1S/C17H15F3N2OS/c1-11-6-7-14(23-11)15-9-22-16(24-15)10-21-8-12-4-2-3-5-13(12)17(18,19)20/h2-7,9,21H,8,10H2,1H3
InChIKeyXPLQLCXARSBRJM-UHFFFAOYSA-N
MW352.38 g/mol
LogP5.02
Rot. Bonds5

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

N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 53273428) has the molecular formula C17H15F3N2OS and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID53273428
Molecular FormulaC17H15F3N2OS
Molecular Weight352.38 g/mol
Exact Mass352.09
IUPAC NameN-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(-c2cnc(CNCc3ccccc3C(F)(F)F)s2)o1
InChIInChI=1S/C17H15F3N2OS/c1-11-6-7-14(23-11)15-9-22-16(24-15)10-21-8-12-4-2-3-5-13(12)17(18,19)20/h2-7,9,21H,8,10H2,1H3
InChIKeyXPLQLCXARSBRJM-UHFFFAOYSA-N
XLogP5.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.38
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine with MolForge

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Related Compounds

(1S)-1-cyclopropyl-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 97318453
1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272184
2-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272185
N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 53272204
2-Thiazolemethanamine, N-[2-(2-fluorophenyl)ethyl]-5-(2-furanyl)-
CID 53272205
1-(2-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272218
2-(3-fluorophenyl)-N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272219
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 53272224
N-[[5-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272309
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272764
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 53272773
2-Thiazolemethanamine, 5-(2-furanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-
CID 53272774

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (CID 53273428) is N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is Cc1ccc(-c2cnc(CNCc3ccccc3C(F)(F)F)s2)o1.
What is the InChIKey of N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XPLQLCXARSBRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2OS/c1-11-6-7-14(23-11)15-9-22-16(24-15)10-21-8-12-4-2-3-5-13(12)17(18,19)20/h2-7,9,21H,8,10H2,1H3.
What are the key properties of N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 352.38 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 53273428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).