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

C11H12F2N4O2S — CID 64546592

IUPAC5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1ccc(CSC(F)F)o1
InChIInChI=1S/C11H12F2N4O2S/c12-11(13)20-5-7-1-2-8(19-7)10(18)14-4-3-9-15-6-16-17-9/h1-2,6,11H,3-5H2,(H,14,18)(H,15,16,17)
InChIKeyHBKOOBKBBXYCMC-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.83
Rot. Bonds7

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

5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide (PubChem CID 64546592) has the molecular formula C11H12F2N4O2S and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide
PubChem CID64546592
Molecular FormulaC11H12F2N4O2S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1ccc(CSC(F)F)o1
InChIInChI=1S/C11H12F2N4O2S/c12-11(13)20-5-7-1-2-8(19-7)10(18)14-4-3-9-15-6-16-17-9/h1-2,6,11H,3-5H2,(H,14,18)(H,15,16,17)
InChIKeyHBKOOBKBBXYCMC-UHFFFAOYSA-N
XLogP1.83
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(difluoromethylsulfanylmethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-carboxamide
CID 115668500
5-(methylsulfanylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-carboxamide
CID 64548096
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43354351
5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
CID 43244787
5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 115592978
5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide
CID 60735591
1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 127267118
5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide
CID 65112616
5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 78928214
5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
CID 60982681
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64546063
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide (CID 64546592) is 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide is O=C(NCCc1ncn[nH]1)c1ccc(CSC(F)F)o1.
What is the InChIKey of 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide?
The InChIKey is HBKOOBKBBXYCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2S/c12-11(13)20-5-7-1-2-8(19-7)10(18)14-4-3-9-15-6-16-17-9/h1-2,6,11H,3-5H2,(H,14,18)(H,15,16,17).
What are the key properties of 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide?
5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide has a molecular weight of 302.31 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfanylmethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 64546592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).