2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine

C11H15N3S — CID 76849265

IUPAC2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSc1cccc2nccn12
InChIInChI=1S/C11H15N3S/c1-13(2)8-9-15-11-5-3-4-10-12-6-7-14(10)11/h3-7H,8-9H2,1-2H3
InChIKeyCAQODCQFONTAJF-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.99
Rot. Bonds4

About 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine

2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine (PubChem CID 76849265) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine
PubChem CID76849265
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine
SMILESCN(C)CCSc1cccc2nccn12
InChIInChI=1S/C11H15N3S/c1-13(2)8-9-15-11-5-3-4-10-12-6-7-14(10)11/h3-7H,8-9H2,1-2H3
InChIKeyCAQODCQFONTAJF-UHFFFAOYSA-N
XLogP1.99
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine (CID 76849265) is 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine is CN(C)CCSc1cccc2nccn12.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine?
The InChIKey is CAQODCQFONTAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-13(2)8-9-15-11-5-3-4-10-12-6-7-14(10)11/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine?
2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine has a molecular weight of 221.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-5-ylsulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 76849265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).