2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide

C14H19N3OS — CID 82147622

IUPAC2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide
SMILESCC(COc1cccn2cc(C(C)C)nc12)C(N)=S
InChIInChI=1S/C14H19N3OS/c1-9(2)11-7-17-6-4-5-12(14(17)16-11)18-8-10(3)13(15)19/h4-7,9-10H,8H2,1-3H3,(H2,15,19)
InChIKeyAOXUMFQDNSCHHC-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.76
Rot. Bonds5

About 2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide

2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide (PubChem CID 82147622) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide.

Molecular Properties

Compound Name2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide
PubChem CID82147622
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide
SMILESCC(COc1cccn2cc(C(C)C)nc12)C(N)=S
InChIInChI=1S/C14H19N3OS/c1-9(2)11-7-17-6-4-5-12(14(17)16-11)18-8-10(3)13(15)19/h4-7,9-10H,8H2,1-3H3,(H2,15,19)
InChIKeyAOXUMFQDNSCHHC-UHFFFAOYSA-N
XLogP2.76
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.76
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

3-imidazo[1,2-a]pyridin-8-yloxy-2-methylpropanethioamide
CID 82147620
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanol
CID 82147143
8-isocyanato-2-propan-2-ylimidazo[1,2-a]pyridine
CID 83916142
8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82055681
4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutan-1-amine
CID 82146556
3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid
CID 110496815
2-[8-(2-methylprop-2-enoxy)imidazo[1,2-a]pyridin-2-yl]ethanamine
CID 82055862
3-[2-(aminomethyl)imidazo[1,2-a]pyridin-8-yl]oxy-N,N-dimethylpropan-1-amine
CID 82055923
4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline
CID 82147716
(8-phenylmethoxyimidazo[1,2-a]pyridin-2-yl)methanamine
CID 82055890
1-(azepan-1-yl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanone
CID 110498271
ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 59280012

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide?
The IUPAC name of 2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide (CID 82147622) is 2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide.
What is the SMILES notation for 2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide?
The canonical SMILES for 2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide is CC(COc1cccn2cc(C(C)C)nc12)C(N)=S.
What is the InChIKey of 2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide?
The InChIKey is AOXUMFQDNSCHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9(2)11-7-17-6-4-5-12(14(17)16-11)18-8-10(3)13(15)19/h4-7,9-10H,8H2,1-3H3,(H2,15,19).
What are the key properties of 2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide?
2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide has a molecular weight of 277.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-propan-2-ylimidazo[1,2-a]pyridin-8-yl)oxypropanethioamide is sourced from PubChem (CID 82147622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).