2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

C15H15N3S — CID 3122810

IUPAC2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCc1cccc2nc(CSc3ccccc3N)cn12
InChIInChI=1S/C15H15N3S/c1-11-5-4-8-15-17-12(9-18(11)15)10-19-14-7-3-2-6-13(14)16/h2-9H,10,16H2,1H3
InChIKeyJICUJUBWALVWFU-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.52
Rot. Bonds3

About 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (PubChem CID 3122810) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
PubChem CID3122810
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCc1cccc2nc(CSc3ccccc3N)cn12
InChIInChI=1S/C15H15N3S/c1-11-5-4-8-15-17-12(9-18(11)15)10-19-14-7-3-2-6-13(14)16/h2-9H,10,16H2,1H3
InChIKeyJICUJUBWALVWFU-UHFFFAOYSA-N
XLogP3.52
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Zolimidine
CID 14652
2-[4-(ethylsulfanyl)-1H-benzimidazol-2-yl]quinoxaline
CID 11688103
E6Clv6G2RR
CID 16750138
7-methyl-N-[4-(pentafluoro-lambda6-sulfanyl)phenyl]imidazo[1,2-a]pyrimidin-5-amine
CID 51347853
2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 914229
2-({Imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)-6-methylpyrimidin-4-ol
CID 135468839
3-phenyl-3H-imidazo(4,5-b)pyridine
CID 5328491
2-Methylimidazo[1,2-a]pyridin-3-amine
CID 15533833
2-((Pyridin-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 700162
2-p-Tolylsulfanylmethyl-imidazo[1,2-a]pyridine
CID 914413
3-Bromo-2-(ethylsulfanylmethyl)imidazo[1,2-a]pyridine
CID 3388975
N-cyclopentyl-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 16192895

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The IUPAC name of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (CID 3122810) is 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.
What is the SMILES notation for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The canonical SMILES for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is Cc1cccc2nc(CSc3ccccc3N)cn12.
What is the InChIKey of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The InChIKey is JICUJUBWALVWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-5-4-8-15-17-12(9-18(11)15)10-19-14-7-3-2-6-13(14)16/h2-9H,10,16H2,1H3.
What are the key properties of 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline has a molecular weight of 269.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is sourced from PubChem (CID 3122810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).