N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

C16H13F3N2OS — CID 53272774

IUPACN-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ncc(-c3ccco3)s2)cc1
InChIInChI=1S/C16H13F3N2OS/c17-16(18,19)12-5-3-11(4-6-12)8-20-10-15-21-9-14(23-15)13-2-1-7-22-13/h1-7,9,20H,8,10H2
InChIKeyBGADJVRQDXNXOA-UHFFFAOYSA-N
MW338.35 g/mol
LogP4.71
Rot. Bonds5

About N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine

N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 53272774) has the molecular formula C16H13F3N2OS and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID53272774
Molecular FormulaC16H13F3N2OS
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC NameN-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccc(CNCc2ncc(-c3ccco3)s2)cc1
InChIInChI=1S/C16H13F3N2OS/c17-16(18,19)12-5-3-11(4-6-12)8-20-10-15-21-9-14(23-15)13-2-1-7-22-13/h1-7,9,20H,8,10H2
InChIKeyBGADJVRQDXNXOA-UHFFFAOYSA-N
XLogP4.71
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 53272774) is N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccc(CNCc2ncc(-c3ccco3)s2)cc1.
What is the InChIKey of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is BGADJVRQDXNXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS/c17-16(18,19)12-5-3-11(4-6-12)8-20-10-15-21-9-14(23-15)13-2-1-7-22-13/h1-7,9,20H,8,10H2.
What are the key properties of N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 338.35 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 53272774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).