2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide

C14H19N3S — CID 82030186

IUPAC2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
SMILESCc1cccc2nc(C(C)C)c(C(C)C(N)=S)n12
InChIInChI=1S/C14H19N3S/c1-8(2)12-13(10(4)14(15)18)17-9(3)6-5-7-11(17)16-12/h5-8,10H,1-4H3,(H2,15,18)
InChIKeyLLFIEKSSILUYGR-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.16
Rot. Bonds3

About 2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide

2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide (PubChem CID 82030186) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
PubChem CID82030186
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide
SMILESCc1cccc2nc(C(C)C)c(C(C)C(N)=S)n12
InChIInChI=1S/C14H19N3S/c1-8(2)12-13(10(4)14(15)18)17-9(3)6-5-7-11(17)16-12/h5-8,10H,1-4H3,(H2,15,18)
InChIKeyLLFIEKSSILUYGR-UHFFFAOYSA-N
XLogP3.16
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide (CID 82030186) is 2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide is Cc1cccc2nc(C(C)C)c(C(C)C(N)=S)n12.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
The InChIKey is LLFIEKSSILUYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-8(2)12-13(10(4)14(15)18)17-9(3)6-5-7-11(17)16-12/h5-8,10H,1-4H3,(H2,15,18).
What are the key properties of 2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide?
2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide has a molecular weight of 261.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)propanethioamide is sourced from PubChem (CID 82030186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).