N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine

C13H17N3S2 — CID 133351236

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine
SMILESCSc1ccc(NC(C)c2cc(C)sc2C)nn1
InChIInChI=1S/C13H17N3S2/c1-8-7-11(10(3)18-8)9(2)14-12-5-6-13(17-4)16-15-12/h5-7,9H,1-4H3,(H,14,15)
InChIKeyHHLYKGKJNQILDL-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.05
Rot. Bonds4

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine (PubChem CID 133351236) has the molecular formula C13H17N3S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine
PubChem CID133351236
Molecular FormulaC13H17N3S2
Molecular Weight279.43 g/mol
Exact Mass279.09
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine
SMILESCSc1ccc(NC(C)c2cc(C)sc2C)nn1
InChIInChI=1S/C13H17N3S2/c1-8-7-11(10(3)18-8)9(2)14-12-5-6-13(17-4)16-15-12/h5-7,9H,1-4H3,(H,14,15)
InChIKeyHHLYKGKJNQILDL-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine (CID 133351236) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine is CSc1ccc(NC(C)c2cc(C)sc2C)nn1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine?
The InChIKey is HHLYKGKJNQILDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S2/c1-8-7-11(10(3)18-8)9(2)14-12-5-6-13(17-4)16-15-12/h5-7,9H,1-4H3,(H,14,15).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine has a molecular weight of 279.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-methylsulfanylpyridazin-3-amine is sourced from PubChem (CID 133351236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).