2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline

C14H13N3S — CID 699701

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline
SMILESNc1ccccc1SCc1cn2ccccc2n1
InChIInChI=1S/C14H13N3S/c15-12-5-1-2-6-13(12)18-10-11-9-17-8-4-3-7-14(17)16-11/h1-9H,10,15H2
InChIKeyLBAYFKVBSOPXGC-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.21
Rot. Bonds3

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline (PubChem CID 699701) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline
PubChem CID699701
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline
SMILESNc1ccccc1SCc1cn2ccccc2n1
InChIInChI=1S/C14H13N3S/c15-12-5-1-2-6-13(12)18-10-11-9-17-8-4-3-7-14(17)16-11/h1-9H,10,15H2
InChIKeyLBAYFKVBSOPXGC-UHFFFAOYSA-N
XLogP3.21
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.21
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-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline (CID 699701) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline is Nc1ccccc1SCc1cn2ccccc2n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline?
The InChIKey is LBAYFKVBSOPXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-12-5-1-2-6-13(12)18-10-11-9-17-8-4-3-7-14(17)16-11/h1-9H,10,15H2.
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline?
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline has a molecular weight of 255.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)aniline is sourced from PubChem (CID 699701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).