2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide

C12H15ClN4S — CID 82151317

IUPAC2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide
SMILESCC(C)Cc1nc2cc(Cl)cnc2n1CC(N)=S
InChIInChI=1S/C12H15ClN4S/c1-7(2)3-11-16-9-4-8(13)5-15-12(9)17(11)6-10(14)18/h4-5,7H,3,6H2,1-2H3,(H2,14,18)
InChIKeyYBYJCLVRDICXGN-UHFFFAOYSA-N
MW282.80 g/mol
LogP2.57
Rot. Bonds4

About 2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide

2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide (PubChem CID 82151317) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide.

Molecular Properties

Compound Name2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide
PubChem CID82151317
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide
SMILESCC(C)Cc1nc2cc(Cl)cnc2n1CC(N)=S
InChIInChI=1S/C12H15ClN4S/c1-7(2)3-11-16-9-4-8(13)5-15-12(9)17(11)6-10(14)18/h4-5,7H,3,6H2,1-2H3,(H2,14,18)
InChIKeyYBYJCLVRDICXGN-UHFFFAOYSA-N
XLogP2.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.57
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-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide?
The IUPAC name of 2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide (CID 82151317) is 2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide.
What is the SMILES notation for 2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide?
The canonical SMILES for 2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide is CC(C)Cc1nc2cc(Cl)cnc2n1CC(N)=S.
What is the InChIKey of 2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide?
The InChIKey is YBYJCLVRDICXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-7(2)3-11-16-9-4-8(13)5-15-12(9)17(11)6-10(14)18/h4-5,7H,3,6H2,1-2H3,(H2,14,18).
What are the key properties of 2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide?
2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide has a molecular weight of 282.80 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]ethanethioamide is sourced from PubChem (CID 82151317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).