N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C19H16N4O4S — CID 10453346

IUPACN-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NN1C(=O)CSC1c1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N4O4S/c1-11-17(22-7-3-2-4-15(22)20-11)18(25)21-23-16(24)9-28-19(23)12-5-6-13-14(8-12)27-10-26-13/h2-8,19H,9-10H2,1H3,(H,21,25)
InChIKeyFVRNFBZUDFMZPA-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.29
Rot. Bonds3

About N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 10453346) has the molecular formula C19H16N4O4S and a molecular weight of 396.43 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID10453346
Molecular FormulaC19H16N4O4S
Molecular Weight396.43 g/mol
Exact Mass396.09
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NN1C(=O)CSC1c1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N4O4S/c1-11-17(22-7-3-2-4-15(22)20-11)18(25)21-23-16(24)9-28-19(23)12-5-6-13-14(8-12)27-10-26-13/h2-8,19H,9-10H2,1H3,(H,21,25)
InChIKeyFVRNFBZUDFMZPA-UHFFFAOYSA-N
XLogP2.29
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 10475979
[7-(1,3-benzodioxol-5-yl)-1,4-thiazepan-4-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 90630733
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 6181482
N-[(5E)-2-(1,3-benzodioxol-5-yl)-5-benzylidene-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
CID 46910446
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681052
N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-3-carbonyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 24514109
N-(1,3-benzodioxol-5-ylmethyl)-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 70689272
2-(1,3-benzodioxol-5-yl)-3-(3-fluoro-4-methylphenyl)-1,3-thiazolidin-4-one
CID 126478989
N-[(2R)-2-(4-imidazol-1-ylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 40633053
2-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one
CID 2987831
methyl 2-[6-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)imino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 43941406

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 10453346) is N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NN1C(=O)CSC1c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FVRNFBZUDFMZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S/c1-11-17(22-7-3-2-4-15(22)20-11)18(25)21-23-16(24)9-28-19(23)12-5-6-13-14(8-12)27-10-26-13/h2-8,19H,9-10H2,1H3,(H,21,25).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)-4-oxo-1,3-thiazolidin-3-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 10453346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).