N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine

C12H14F2N2OS2 — CID 55261618

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESFC(F)SCc1ccc(CNCCc2cscn2)o1
InChIInChI=1S/C12H14F2N2OS2/c13-12(14)19-7-11-2-1-10(17-11)5-15-4-3-9-6-18-8-16-9/h1-2,6,8,12,15H,3-5,7H2
InChIKeyDUIYSDQMOYHBSA-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.52
Rot. Bonds8

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 55261618) has the molecular formula C12H14F2N2OS2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID55261618
Molecular FormulaC12H14F2N2OS2
Molecular Weight304.39 g/mol
Exact Mass304.05
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine
SMILESFC(F)SCc1ccc(CNCCc2cscn2)o1
InChIInChI=1S/C12H14F2N2OS2/c13-12(14)19-7-11-2-1-10(17-11)5-15-4-3-9-6-18-8-16-9/h1-2,6,8,12,15H,3-5,7H2
InChIKeyDUIYSDQMOYHBSA-UHFFFAOYSA-N
XLogP3.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine (CID 55261618) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine is FC(F)SCc1ccc(CNCCc2cscn2)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is DUIYSDQMOYHBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2OS2/c13-12(14)19-7-11-2-1-10(17-11)5-15-4-3-9-6-18-8-16-9/h1-2,6,8,12,15H,3-5,7H2.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 304.39 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 55261618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).