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

C12H14F2N2OS2 — CID 63599516

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1ccc(CSC(F)F)o1)c1nccs1
InChIInChI=1S/C12H14F2N2OS2/c1-8(11-15-4-5-18-11)16-6-9-2-3-10(17-9)7-19-12(13)14/h2-5,8,12,16H,6-7H2,1H3
InChIKeySHNRJNWOUQAWBB-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.04
Rot. Bonds7

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

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 63599516) 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]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID63599516
Molecular FormulaC12H14F2N2OS2
Molecular Weight304.39 g/mol
Exact Mass304.05
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCC(NCc1ccc(CSC(F)F)o1)c1nccs1
InChIInChI=1S/C12H14F2N2OS2/c1-8(11-15-4-5-18-11)16-6-9-2-3-10(17-9)7-19-12(13)14/h2-5,8,12,16H,6-7H2,1H3
InChIKeySHNRJNWOUQAWBB-UHFFFAOYSA-N
XLogP4.04
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 63599516) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine is CC(NCc1ccc(CSC(F)F)o1)c1nccs1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is SHNRJNWOUQAWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2OS2/c1-8(11-15-4-5-18-11)16-6-9-2-3-10(17-9)7-19-12(13)14/h2-5,8,12,16H,6-7H2,1H3.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 304.39 g/mol, XLogP of 4.04, 7 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]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 63599516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).