5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide

C11H12F2N4O2S — CID 64511239

IUPAC5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C11H12F2N4O2S/c1-17(4-9-14-6-15-16-9)10(18)8-3-2-7(19-8)5-20-11(12)13/h2-3,6,11H,4-5H2,1H3,(H,14,15,16)
InChIKeyKZNSAFQSERVAHB-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.13
Rot. Bonds6

About 5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide

5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide (PubChem CID 64511239) has the molecular formula C11H12F2N4O2S and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
PubChem CID64511239
Molecular FormulaC11H12F2N4O2S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C11H12F2N4O2S/c1-17(4-9-14-6-15-16-9)10(18)8-3-2-7(19-8)5-20-11(12)13/h2-3,6,11H,4-5H2,1H3,(H,14,15,16)
InChIKeyKZNSAFQSERVAHB-UHFFFAOYSA-N
XLogP2.13
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide (CID 64511239) is 5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide is CN(Cc1ncn[nH]1)C(=O)c1ccc(CSC(F)F)o1.
What is the InChIKey of 5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
The InChIKey is KZNSAFQSERVAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2S/c1-17(4-9-14-6-15-16-9)10(18)8-3-2-7(19-8)5-20-11(12)13/h2-3,6,11H,4-5H2,1H3,(H,14,15,16).
What are the key properties of 5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide?
5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfanylmethyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 64511239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).