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

C15H14N4S — CID 107649079

IUPAC3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine
SMILESCSc1ccccc1-n1cncc1-c1cnccc1N
InChIInChI=1S/C15H14N4S/c1-20-15-5-3-2-4-13(15)19-10-18-9-14(19)11-8-17-7-6-12(11)16/h2-10H,1H3,(H2,16,17)
InChIKeyPTCBBOHHVFZFPU-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.24
Rot. Bonds3

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

3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine (PubChem CID 107649079) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine
PubChem CID107649079
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine
SMILESCSc1ccccc1-n1cncc1-c1cnccc1N
InChIInChI=1S/C15H14N4S/c1-20-15-5-3-2-4-13(15)19-10-18-9-14(19)11-8-17-7-6-12(11)16/h2-10H,1H3,(H2,16,17)
InChIKeyPTCBBOHHVFZFPU-UHFFFAOYSA-N
XLogP3.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114720350
3-[3-(3-chloro-2-fluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114717814
3-[3-(2,6-dimethyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114721205
3-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114716552
3-[3-(4-fluoro-2-methylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114716848
3-[3-(2,5-dimethylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114716803
(1S)-1-[3-(2-methylsulfanylphenyl)imidazol-4-yl]ethanamine
CID 107649069
3-[3-(3-methylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114717514
3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114717015
3-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]pyridin-4-amine
CID 114720772
3-[3-(4-bromo-3-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
CID 114721634
3-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
CID 114721657

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine (CID 107649079) is 3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine is CSc1ccccc1-n1cncc1-c1cnccc1N.
What is the InChIKey of 3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine?
The InChIKey is PTCBBOHHVFZFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-20-15-5-3-2-4-13(15)19-10-18-9-14(19)11-8-17-7-6-12(11)16/h2-10H,1H3,(H2,16,17).
What are the key properties of 3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine?
3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine has a molecular weight of 282.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 107649079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).