N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine

C14H15N3OS — CID 43788162

IUPACN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine
SMILESCSCc1ccc(CNc2cccc3cn[nH]c23)o1
InChIInChI=1S/C14H15N3OS/c1-19-9-12-6-5-11(18-12)8-15-13-4-2-3-10-7-16-17-14(10)13/h2-7,15H,8-9H2,1H3,(H,16,17)
InChIKeyLUGHZYSZRBJXEV-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.63
Rot. Bonds5

About N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine

N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine (PubChem CID 43788162) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine
PubChem CID43788162
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine
SMILESCSCc1ccc(CNc2cccc3cn[nH]c23)o1
InChIInChI=1S/C14H15N3OS/c1-19-9-12-6-5-11(18-12)8-15-13-4-2-3-10-7-16-17-14(10)13/h2-7,15H,8-9H2,1H3,(H,16,17)
InChIKeyLUGHZYSZRBJXEV-UHFFFAOYSA-N
XLogP3.63
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine?
The IUPAC name of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine (CID 43788162) is N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine?
The canonical SMILES for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine is CSCc1ccc(CNc2cccc3cn[nH]c23)o1.
What is the InChIKey of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine?
The InChIKey is LUGHZYSZRBJXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-19-9-12-6-5-11(18-12)8-15-13-4-2-3-10-7-16-17-14(10)13/h2-7,15H,8-9H2,1H3,(H,16,17).
What are the key properties of N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine?
N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine has a molecular weight of 273.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-1H-indazol-7-amine is sourced from PubChem (CID 43788162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).