6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine

C11H14ClN3S — CID 116505054

IUPAC6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCCSCCc1nc2ccc(Cl)cn2c1N
InChIInChI=1S/C11H14ClN3S/c1-2-16-6-5-9-11(13)15-7-8(12)3-4-10(15)14-9/h3-4,7H,2,5-6,13H2,1H3
InChIKeyZQUZJSFMLBIDJT-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.87
Rot. Bonds4

About 6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine

6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 116505054) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID116505054
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCCSCCc1nc2ccc(Cl)cn2c1N
InChIInChI=1S/C11H14ClN3S/c1-2-16-6-5-9-11(13)15-7-8(12)3-4-10(15)14-9/h3-4,7H,2,5-6,13H2,1H3
InChIKeyZQUZJSFMLBIDJT-UHFFFAOYSA-N
XLogP2.87
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine (CID 116505054) is 6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine is CCSCCc1nc2ccc(Cl)cn2c1N.
What is the InChIKey of 6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is ZQUZJSFMLBIDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-2-16-6-5-9-11(13)15-7-8(12)3-4-10(15)14-9/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of 6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine?
6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 255.77 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-ethylsulfanylethyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 116505054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).