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

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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).