2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

C15H15N3S — CID 1263982

IUPAC2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCc1cccn2cc(CSc3ccccc3N)nc12
InChIInChI=1S/C15H15N3S/c1-11-5-4-8-18-9-12(17-15(11)18)10-19-14-7-3-2-6-13(14)16/h2-9H,10,16H2,1H3
InChIKeyPECWQCZPGPYYJD-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.52
Rot. Bonds3

About 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (PubChem CID 1263982) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
PubChem CID1263982
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCc1cccn2cc(CSc3ccccc3N)nc12
InChIInChI=1S/C15H15N3S/c1-11-5-4-8-18-9-12(17-15(11)18)10-19-14-7-3-2-6-13(14)16/h2-9H,10,16H2,1H3
InChIKeyPECWQCZPGPYYJD-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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Frequently Asked Questions

What is the IUPAC name of 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The IUPAC name of 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (CID 1263982) is 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.
What is the SMILES notation for 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The canonical SMILES for 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is Cc1cccn2cc(CSc3ccccc3N)nc12.
What is the InChIKey of 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The InChIKey is PECWQCZPGPYYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-5-4-8-18-9-12(17-15(11)18)10-19-14-7-3-2-6-13(14)16/h2-9H,10,16H2,1H3.
What are the key properties of 2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
2-[(8-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-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is sourced from PubChem (CID 1263982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).