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

C14H18F2N2OS2 — CID 115679702

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cnc(C(C)NCc2ccc(CSC(F)F)o2)s1
InChIInChI=1S/C14H18F2N2OS2/c1-3-12-7-18-13(21-12)9(2)17-6-10-4-5-11(19-10)8-20-14(15)16/h4-5,7,9,14,17H,3,6,8H2,1-2H3
InChIKeyMFAKTWMVXVSDIS-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.61
Rot. Bonds8

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

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115679702) has the molecular formula C14H18F2N2OS2 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115679702
Molecular FormulaC14H18F2N2OS2
Molecular Weight332.44 g/mol
Exact Mass332.08
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine
SMILESCCc1cnc(C(C)NCc2ccc(CSC(F)F)o2)s1
InChIInChI=1S/C14H18F2N2OS2/c1-3-12-7-18-13(21-12)9(2)17-6-10-4-5-11(19-10)8-20-14(15)16/h4-5,7,9,14,17H,3,6,8H2,1-2H3
InChIKeyMFAKTWMVXVSDIS-UHFFFAOYSA-N
XLogP4.61
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.61
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-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine (CID 115679702) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine is CCc1cnc(C(C)NCc2ccc(CSC(F)F)o2)s1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is MFAKTWMVXVSDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2OS2/c1-3-12-7-18-13(21-12)9(2)17-6-10-4-5-11(19-10)8-20-14(15)16/h4-5,7,9,14,17H,3,6,8H2,1-2H3.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 332.44 g/mol, XLogP of 4.61, 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]-1-(5-ethyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115679702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).