3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

C16H17N3OS — CID 79827126

IUPAC3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCOc1cc(N)ccc1SCc1cn2cccc(C)c2n1
InChIInChI=1S/C16H17N3OS/c1-11-4-3-7-19-9-13(18-16(11)19)10-21-15-6-5-12(17)8-14(15)20-2/h3-9H,10,17H2,1-2H3
InChIKeyQJVIZUWGRXHMHM-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.53
Rot. Bonds4

About 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (PubChem CID 79827126) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
PubChem CID79827126
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCOc1cc(N)ccc1SCc1cn2cccc(C)c2n1
InChIInChI=1S/C16H17N3OS/c1-11-4-3-7-19-9-13(18-16(11)19)10-21-15-6-5-12(17)8-14(15)20-2/h3-9H,10,17H2,1-2H3
InChIKeyQJVIZUWGRXHMHM-UHFFFAOYSA-N
XLogP3.53
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The IUPAC name of 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (CID 79827126) is 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.
What is the SMILES notation for 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The canonical SMILES for 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is COc1cc(N)ccc1SCc1cn2cccc(C)c2n1.
What is the InChIKey of 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The InChIKey is QJVIZUWGRXHMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-4-3-7-19-9-13(18-16(11)19)10-21-15-6-5-12(17)8-14(15)20-2/h3-9H,10,17H2,1-2H3.
What are the key properties of 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline has a molecular weight of 299.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is sourced from PubChem (CID 79827126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).