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

C12H14F2N4O2S — CID 64510599

IUPAC5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc(CSC(F)F)o2)n[nH]1
InChIInChI=1S/C12H14F2N4O2S/c1-7-15-10(17-16-7)5-18(2)11(19)9-4-3-8(20-9)6-21-12(13)14/h3-4,12H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyIDAIBQDJDXXWLY-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.43
Rot. Bonds6

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

5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide (PubChem CID 64510599) has the molecular formula C12H14F2N4O2S and a molecular weight of 316.33 g/mol. Its IUPAC name is 5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
PubChem CID64510599
Molecular FormulaC12H14F2N4O2S
Molecular Weight316.33 g/mol
Exact Mass316.08
IUPAC Name5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
SMILESCc1nc(CN(C)C(=O)c2ccc(CSC(F)F)o2)n[nH]1
InChIInChI=1S/C12H14F2N4O2S/c1-7-15-10(17-16-7)5-18(2)11(19)9-4-3-8(20-9)6-21-12(13)14/h3-4,12H,5-6H2,1-2H3,(H,15,16,17)
InChIKeyIDAIBQDJDXXWLY-UHFFFAOYSA-N
XLogP2.43
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide (CID 64510599) is 5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide is Cc1nc(CN(C)C(=O)c2ccc(CSC(F)F)o2)n[nH]1.
What is the InChIKey of 5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide?
The InChIKey is IDAIBQDJDXXWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O2S/c1-7-15-10(17-16-7)5-18(2)11(19)9-4-3-8(20-9)6-21-12(13)14/h3-4,12H,5-6H2,1-2H3,(H,15,16,17).
What are the key properties of 5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide?
5-(difluoromethylsulfanylmethyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 2.43, 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-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 64510599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).