N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine

C14H13F2N3OS — CID 43782670

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine
SMILESFC(F)SCc1ccc(CNc2ccc3[nH]ncc3c2)o1
InChIInChI=1S/C14H13F2N3OS/c15-14(16)21-8-12-3-2-11(20-12)7-17-10-1-4-13-9(5-10)6-18-19-13/h1-6,14,17H,7-8H2,(H,18,19)
InChIKeyXWSDPIKLUFRFEA-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.22
Rot. Bonds6

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine (PubChem CID 43782670) has the molecular formula C14H13F2N3OS and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine
PubChem CID43782670
Molecular FormulaC14H13F2N3OS
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine
SMILESFC(F)SCc1ccc(CNc2ccc3[nH]ncc3c2)o1
InChIInChI=1S/C14H13F2N3OS/c15-14(16)21-8-12-3-2-11(20-12)7-17-10-1-4-13-9(5-10)6-18-19-13/h1-6,14,17H,7-8H2,(H,18,19)
InChIKeyXWSDPIKLUFRFEA-UHFFFAOYSA-N
XLogP4.22
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine (CID 43782670) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine is FC(F)SCc1ccc(CNc2ccc3[nH]ncc3c2)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine?
The InChIKey is XWSDPIKLUFRFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3OS/c15-14(16)21-8-12-3-2-11(20-12)7-17-10-1-4-13-9(5-10)6-18-19-13/h1-6,14,17H,7-8H2,(H,18,19).
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine has a molecular weight of 309.34 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-5-amine is sourced from PubChem (CID 43782670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).