2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine

C13H13ClN4S — CID 79428118

IUPAC2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine
SMILESCN(C)c1ccc2nc(-c3cc(Cl)cs3)c(N)n2c1
InChIInChI=1S/C13H13ClN4S/c1-17(2)9-3-4-11-16-12(13(15)18(11)6-9)10-5-8(14)7-19-10/h3-7H,15H2,1-2H3
InChIKeyLBVVUYILXIOKQL-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.36
Rot. Bonds2

About 2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine

2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine (PubChem CID 79428118) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine.

Molecular Properties

Compound Name2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine
PubChem CID79428118
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine
SMILESCN(C)c1ccc2nc(-c3cc(Cl)cs3)c(N)n2c1
InChIInChI=1S/C13H13ClN4S/c1-17(2)9-3-4-11-16-12(13(15)18(11)6-9)10-5-8(14)7-19-10/h3-7H,15H2,1-2H3
InChIKeyLBVVUYILXIOKQL-UHFFFAOYSA-N
XLogP3.36
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine?
The IUPAC name of 2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine (CID 79428118) is 2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine.
What is the SMILES notation for 2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine?
The canonical SMILES for 2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine is CN(C)c1ccc2nc(-c3cc(Cl)cs3)c(N)n2c1.
What is the InChIKey of 2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine?
The InChIKey is LBVVUYILXIOKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-17(2)9-3-4-11-16-12(13(15)18(11)6-9)10-5-8(14)7-19-10/h3-7H,15H2,1-2H3.
What are the key properties of 2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine?
2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine has a molecular weight of 292.80 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine is sourced from PubChem (CID 79428118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).