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

C10H11F2N3OS2 — CID 113354595

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccc(CSC(F)F)o2)s1
InChIInChI=1S/C10H11F2N3OS2/c1-6-14-15-10(18-6)13-4-7-2-3-8(16-7)5-17-9(11)12/h2-3,9H,4-5H2,1H3,(H,13,15)
InChIKeyYONAMDINCDMLBW-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.51
Rot. Bonds6

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

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 113354595) has the molecular formula C10H11F2N3OS2 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID113354595
Molecular FormulaC10H11F2N3OS2
Molecular Weight291.35 g/mol
Exact Mass291.03
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCc2ccc(CSC(F)F)o2)s1
InChIInChI=1S/C10H11F2N3OS2/c1-6-14-15-10(18-6)13-4-7-2-3-8(16-7)5-17-9(11)12/h2-3,9H,4-5H2,1H3,(H,13,15)
InChIKeyYONAMDINCDMLBW-UHFFFAOYSA-N
XLogP3.51
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 113354595) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCc2ccc(CSC(F)F)o2)s1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YONAMDINCDMLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3OS2/c1-6-14-15-10(18-6)13-4-7-2-3-8(16-7)5-17-9(11)12/h2-3,9H,4-5H2,1H3,(H,13,15).
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 291.35 g/mol, XLogP of 3.51, 6 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-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 113354595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).