3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine

C14H17F2N3OS — CID 43779908

IUPAC3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C14H17F2N3OS/c1-19(2)13-5-6-17-8-12(13)18-7-10-3-4-11(20-10)9-21-14(15)16/h3-6,8,14,18H,7,9H2,1-2H3
InChIKeyFIINBENOEKHEKE-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.81
Rot. Bonds7

About 3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 43779908) has the molecular formula C14H17F2N3OS and a molecular weight of 313.37 g/mol. Its IUPAC name is 3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID43779908
Molecular FormulaC14H17F2N3OS
Molecular Weight313.37 g/mol
Exact Mass313.11
IUPAC Name3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C14H17F2N3OS/c1-19(2)13-5-6-17-8-12(13)18-7-10-3-4-11(20-10)9-21-14(15)16/h3-6,8,14,18H,7,9H2,1-2H3
InChIKeyFIINBENOEKHEKE-UHFFFAOYSA-N
XLogP3.81
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine with MolForge

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Related Compounds

N-[(furan-2-yl)methyl]pyridin-3-amine
CID 4962056
3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 3673827
N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]furan-2-carboxamide
CID 16384691
1-[(5-Methyl-2-furyl)methyl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane
CID 56891229
2-{1-Methyl-2-oxo-1H,2H,3H-pyrido[2,3-B][1,4]thiazin-3-YL}-N-[(5-methylfuran-2-YL)methyl]acetamide
CID 53148522
[(5-Methylfuran-2-yl)methyl][(pyridin-2-yl)methyl]amine dihydrochloride
CID 132372586
N1-(furan-2-ylmethyl)-N2-(pyridin-4-yl)oxalamide
CID 18588753
2-(1-ethyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 53148557
N-[2-(5-dimethyl-aminomethylfuran-2-ylmethylthio)ethyl]-3-pyridine-carboxamide
CID 12831860
6-Methoxy-N-((5-methylfuran-2-yl)methyl)pyridin-3-amine
CID 28422597
2-N,2-N-dimethyl-5-N-[(5-methylfuran-2-yl)methyl]pyridine-2,5-diamine
CID 43690485
N-[(5-ethylfuran-2-yl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 62344566

Frequently Asked Questions

What is the IUPAC name of 3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine (CID 43779908) is 3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine is CN(C)c1ccncc1NCc1ccc(CSC(F)F)o1.
What is the InChIKey of 3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is FIINBENOEKHEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3OS/c1-19(2)13-5-6-17-8-12(13)18-7-10-3-4-11(20-10)9-21-14(15)16/h3-6,8,14,18H,7,9H2,1-2H3.
What are the key properties of 3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 313.37 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 43779908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).