2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

C16H17N3S — CID 79147590

IUPAC2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCc1ccc2nc(CSc3ccc(N)c(C)c3)cn2c1
InChIInChI=1S/C16H17N3S/c1-11-3-6-16-18-13(9-19(16)8-11)10-20-14-4-5-15(17)12(2)7-14/h3-9H,10,17H2,1-2H3
InChIKeyACKIUECRMQEKEC-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.83
Rot. Bonds3

About 2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline

2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (PubChem CID 79147590) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
PubChem CID79147590
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
SMILESCc1ccc2nc(CSc3ccc(N)c(C)c3)cn2c1
InChIInChI=1S/C16H17N3S/c1-11-3-6-16-18-13(9-19(16)8-11)10-20-14-4-5-15(17)12(2)7-14/h3-9H,10,17H2,1-2H3
InChIKeyACKIUECRMQEKEC-UHFFFAOYSA-N
XLogP3.83
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.83
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-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The IUPAC name of 2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline (CID 79147590) is 2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline.
What is the SMILES notation for 2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The canonical SMILES for 2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is Cc1ccc2nc(CSc3ccc(N)c(C)c3)cn2c1.
What is the InChIKey of 2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
The InChIKey is ACKIUECRMQEKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-3-6-16-18-13(9-19(16)8-11)10-20-14-4-5-15(17)12(2)7-14/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline?
2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline has a molecular weight of 283.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline is sourced from PubChem (CID 79147590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).