1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine

C11H12F2N2OS2 — CID 60962078

IUPAC1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFC(F)SCc1ccc(CNCc2nccs2)o1
InChIInChI=1S/C11H12F2N2OS2/c12-11(13)18-7-9-2-1-8(16-9)5-14-6-10-15-3-4-17-10/h1-4,11,14H,5-7H2
InChIKeyMXLQZZMZSATZNF-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.48
Rot. Bonds7

About 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine

1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 60962078) has the molecular formula C11H12F2N2OS2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID60962078
Molecular FormulaC11H12F2N2OS2
Molecular Weight290.36 g/mol
Exact Mass290.04
IUPAC Name1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESFC(F)SCc1ccc(CNCc2nccs2)o1
InChIInChI=1S/C11H12F2N2OS2/c12-11(13)18-7-9-2-1-8(16-9)5-14-6-10-15-3-4-17-10/h1-4,11,14H,5-7H2
InChIKeyMXLQZZMZSATZNF-UHFFFAOYSA-N
XLogP3.48
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 60962078) is 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine is FC(F)SCc1ccc(CNCc2nccs2)o1.
What is the InChIKey of 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is MXLQZZMZSATZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2OS2/c12-11(13)18-7-9-2-1-8(16-9)5-14-6-10-15-3-4-17-10/h1-4,11,14H,5-7H2.
What are the key properties of 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 290.36 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 60962078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).