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

C14H18F2N2OS2 — CID 61060967

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCc2ccc(CSC(F)F)o2)s1
InChIInChI=1S/C14H18F2N2OS2/c1-8(13-9(2)18-10(3)21-13)17-6-11-4-5-12(19-11)7-20-14(15)16/h4-5,8,14,17H,6-7H2,1-3H3
InChIKeyQXGUZZXMDKQGDM-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.66
Rot. Bonds7

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

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 61060967) 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-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
PubChem CID61060967
Molecular FormulaC14H18F2N2OS2
Molecular Weight332.44 g/mol
Exact Mass332.08
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCc2ccc(CSC(F)F)o2)s1
InChIInChI=1S/C14H18F2N2OS2/c1-8(13-9(2)18-10(3)21-13)17-6-11-4-5-12(19-11)7-20-14(15)16/h4-5,8,14,17H,6-7H2,1-3H3
InChIKeyQXGUZZXMDKQGDM-UHFFFAOYSA-N
XLogP4.66
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.66
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-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (CID 61060967) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is Cc1nc(C)c(C(C)NCc2ccc(CSC(F)F)o2)s1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is QXGUZZXMDKQGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2OS2/c1-8(13-9(2)18-10(3)21-13)17-6-11-4-5-12(19-11)7-20-14(15)16/h4-5,8,14,17H,6-7H2,1-3H3.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 332.44 g/mol, XLogP of 4.66, 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-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 61060967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).