4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine

C14H20N4S — CID 114722647

IUPAC4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine
SMILESCCSCCC(C)n1cncc1-c1ccnc(N)c1
InChIInChI=1S/C14H20N4S/c1-3-19-7-5-11(2)18-10-16-9-13(18)12-4-6-17-14(15)8-12/h4,6,8-11H,3,5,7H2,1-2H3,(H2,15,17)
InChIKeyUUVXLKCRFYOFKL-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.23
Rot. Bonds6

About 4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine

4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114722647) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine
PubChem CID114722647
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine
SMILESCCSCCC(C)n1cncc1-c1ccnc(N)c1
InChIInChI=1S/C14H20N4S/c1-3-19-7-5-11(2)18-10-16-9-13(18)12-4-6-17-14(15)8-12/h4,6,8-11H,3,5,7H2,1-2H3,(H2,15,17)
InChIKeyUUVXLKCRFYOFKL-UHFFFAOYSA-N
XLogP3.23
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(3-methylpentan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114718576
ethyl 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
CID 114718853
4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114719950
4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717900
4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 114719474
4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114721670
4-(3-pentylimidazol-4-yl)pyridin-2-amine
CID 114716246
4-[3-(1-propan-2-ylpyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114720076
1-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707825
4-[3-(3-ethylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114717172
4-[3-(3-propan-2-ylphenyl)imidazol-4-yl]pyridin-2-amine
CID 114717854
4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine
CID 106194333

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine (CID 114722647) is 4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine is CCSCCC(C)n1cncc1-c1ccnc(N)c1.
What is the InChIKey of 4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is UUVXLKCRFYOFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-19-7-5-11(2)18-10-16-9-13(18)12-4-6-17-14(15)8-12/h4,6,8-11H,3,5,7H2,1-2H3,(H2,15,17).
What are the key properties of 4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine?
4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylsulfanylbutan-2-yl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114722647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).