N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

C13H17F2N3OS2 — CID 103934023

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NCc2ccc(CSC(F)F)o2)s1
InChIInChI=1S/C13H17F2N3OS2/c1-8(2)5-11-17-18-13(21-11)16-6-9-3-4-10(19-9)7-20-12(14)15/h3-4,8,12H,5-7H2,1-2H3,(H,16,18)
InChIKeyDZOQFXQSHCCOBD-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.40
Rot. Bonds8

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 103934023) has the molecular formula C13H17F2N3OS2 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID103934023
Molecular FormulaC13H17F2N3OS2
Molecular Weight333.43 g/mol
Exact Mass333.08
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NCc2ccc(CSC(F)F)o2)s1
InChIInChI=1S/C13H17F2N3OS2/c1-8(2)5-11-17-18-13(21-11)16-6-9-3-4-10(19-9)7-20-12(14)15/h3-4,8,12H,5-7H2,1-2H3,(H,16,18)
InChIKeyDZOQFXQSHCCOBD-UHFFFAOYSA-N
XLogP4.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 113354595
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260977
5-methyl-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 103934147
5-(2-methylpropyl)-N-[(3,4,5-trifluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103934075
(1R)-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-fluorophenyl)ethanamine
CID 81350621
4-[[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]methyl]benzene-1,2,3-triol
CID 106260111
N-[(3-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 104739552
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline
CID 43764511
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 43783043
5-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 106260097
6-[[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]methyl]pyridin-3-ol
CID 106260766
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 114165421

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 103934023) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NCc2ccc(CSC(F)F)o2)s1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is DZOQFXQSHCCOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3OS2/c1-8(2)5-11-17-18-13(21-11)16-6-9-3-4-10(19-9)7-20-12(14)15/h3-4,8,12H,5-7H2,1-2H3,(H,16,18).
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 333.43 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103934023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).