2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide

C12H15ClN4S — CID 82151314

IUPAC2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide
SMILESCC(C)(C)c1nc2cc(Cl)cnc2n1CC(N)=S
InChIInChI=1S/C12H15ClN4S/c1-12(2,3)11-16-8-4-7(13)5-15-10(8)17(11)6-9(14)18/h4-5H,6H2,1-3H3,(H2,14,18)
InChIKeyRDPUPGXZZJBKFS-UHFFFAOYSA-N
MW282.80 g/mol
LogP2.67
Rot. Bonds2

About 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide

2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide (PubChem CID 82151314) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide.

Molecular Properties

Compound Name2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide
PubChem CID82151314
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide
SMILESCC(C)(C)c1nc2cc(Cl)cnc2n1CC(N)=S
InChIInChI=1S/C12H15ClN4S/c1-12(2,3)11-16-8-4-7(13)5-15-10(8)17(11)6-9(14)18/h4-5H,6H2,1-3H3,(H2,14,18)
InChIKeyRDPUPGXZZJBKFS-UHFFFAOYSA-N
XLogP2.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide?
The IUPAC name of 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide (CID 82151314) is 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide.
What is the SMILES notation for 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide?
The canonical SMILES for 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide is CC(C)(C)c1nc2cc(Cl)cnc2n1CC(N)=S.
What is the InChIKey of 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide?
The InChIKey is RDPUPGXZZJBKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-12(2,3)11-16-8-4-7(13)5-15-10(8)17(11)6-9(14)18/h4-5H,6H2,1-3H3,(H2,14,18).
What are the key properties of 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide?
2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide has a molecular weight of 282.80 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanethioamide is sourced from PubChem (CID 82151314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).