3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide

C11H13N3OS — CID 82147620

IUPAC3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide
SMILESCC(COc1cccn2ccnc12)C(N)=S
InChIInChI=1S/C11H13N3OS/c1-8(10(12)16)7-15-9-3-2-5-14-6-4-13-11(9)14/h2-6,8H,7H2,1H3,(H2,12,16)
InChIKeyVVJGMPZIDDNANP-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.64
Rot. Bonds4

About 3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide

3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide (PubChem CID 82147620) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide
PubChem CID82147620
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide
SMILESCC(COc1cccn2ccnc12)C(N)=S
InChIInChI=1S/C11H13N3OS/c1-8(10(12)16)7-15-9-3-2-5-14-6-4-13-11(9)14/h2-6,8H,7H2,1H3,(H2,12,16)
InChIKeyVVJGMPZIDDNANP-UHFFFAOYSA-N
XLogP1.64
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide
CID 82147622
imidazo[1,2-a]pyridin-8-yloxyboronic acid
CID 153409442
1-imidazo[1,2-a]pyridin-8-ylpropan-2-amine
CID 83865765
2-(imidazo[1,2-a]pyridin-8-yloxymethyl)benzoic acid
CID 82146579
imidazo[1,2-a]pyridin-8-amine;hydrochloride
CID 118705200
imidazo[1,2-a]pyridin-8-ylmethanamine
CID 18766910
3-(imidazo[1,2-a]pyridin-8-ylmethylsulfanyl)butan-2-ol
CID 138015531
2-[3-(2-methylpropoxy)-2-oxo-1-pyridinyl]ethanethioamide
CID 82151265
(5E)-5-butylidene-3-(3-imidazo[1,2-a]pyridin-8-yloxypropyl)-1,3-thiazolidine-2,4-dione;hydrochloride
CID 18936831
2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide
CID 82151747
3-(3-amino-2-methyl-3-sulfanylidenepropoxy)benzamide
CID 82147616
2-methyl-3-[4-(trifluoromethyl)phenoxy]propanethioamide
CID 43175370

Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide?
The IUPAC name of 3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide (CID 82147620) is 3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide is CC(COc1cccn2ccnc12)C(N)=S.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide?
The InChIKey is VVJGMPZIDDNANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8(10(12)16)7-15-9-3-2-5-14-6-4-13-11(9)14/h2-6,8H,7H2,1H3,(H2,12,16).
What are the key properties of 3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide?
3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide has a molecular weight of 235.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide is sourced from PubChem (CID 82147620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).