5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide

C10H10F2N4O2S — CID 78928214

IUPAC5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc(CSC(F)F)o2)n[nH]1
InChIInChI=1S/C10H10F2N4O2S/c1-5-13-10(16-15-5)14-8(17)7-3-2-6(18-7)4-19-9(11)12/h2-3,9H,4H2,1H3,(H2,13,14,15,16,17)
InChIKeyJRCWTHPQEIMJID-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.41
Rot. Bonds5

About 5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide

5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide (PubChem CID 78928214) has the molecular formula C10H10F2N4O2S and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
PubChem CID78928214
Molecular FormulaC10H10F2N4O2S
Molecular Weight288.28 g/mol
Exact Mass288.05
IUPAC Name5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESCc1nc(NC(=O)c2ccc(CSC(F)F)o2)n[nH]1
InChIInChI=1S/C10H10F2N4O2S/c1-5-13-10(16-15-5)14-8(17)7-3-2-6(18-7)4-19-9(11)12/h2-3,9H,4H2,1H3,(H2,13,14,15,16,17)
InChIKeyJRCWTHPQEIMJID-UHFFFAOYSA-N
XLogP2.41
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 115592978
5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide
CID 60735591
5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
CID 43244787
5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carbohydrazide
CID 63590097
5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide
CID 115968835
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43354351
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid
CID 43469217
5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide
CID 64546592
4-(bromomethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 102851939
5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide
CID 65112616
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 43225249
5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide
CID 115668500

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide (CID 78928214) is 5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide is Cc1nc(NC(=O)c2ccc(CSC(F)F)o2)n[nH]1.
What is the InChIKey of 5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide?
The InChIKey is JRCWTHPQEIMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O2S/c1-5-13-10(16-15-5)14-8(17)7-3-2-6(18-7)4-19-9(11)12/h2-3,9H,4H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide?
5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide has a molecular weight of 288.28 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 78928214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).