formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide

C15H19N3O5S — CID 154904325

IUPACformic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)C1CCS(=O)(=O)C1.O=CO
InChIInChI=1S/C14H17N3O3S.CH2O2/c18-14(11-5-8-21(19,20)10-11)15-6-4-12-9-17-7-2-1-3-13(17)16-12;2-1-3/h1-3,7,9,11H,4-6,8,10H2,(H,15,18);1H,(H,2,3)
InChIKeyPWLRBIQMOJKPRN-UHFFFAOYSA-N
MW353.40 g/mol
LogP0.13
Rot. Bonds4

About formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide

formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 154904325) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Nameformic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID154904325
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Nameformic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCCc1cn2ccccc2n1)C1CCS(=O)(=O)C1.O=CO
InChIInChI=1S/C14H17N3O3S.CH2O2/c18-14(11-5-8-21(19,20)10-11)15-6-4-12-9-17-7-2-1-3-13(17)16-12;2-1-3/h1-3,7,9,11H,4-6,8,10H2,(H,15,18);1H,(H,2,3)
InChIKeyPWLRBIQMOJKPRN-UHFFFAOYSA-N
XLogP0.13
TPSA117.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid
CID 167894308
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131947453
(3S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 25279424
trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
CID 97340572
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122567936
4-(hydroxymethyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)piperidine-1-carboxamide
CID 110895574
(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444630
cis-(1S,2R)-2-(4-fluorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 31008529
3-(cyclopropanecarbonylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)naphthalene-2-carboxamide
CID 25430851
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 94055154
N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 31008557
(9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125160032

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide (CID 154904325) is formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide is O=C(NCCc1cn2ccccc2n1)C1CCS(=O)(=O)C1.O=CO.
What is the InChIKey of formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is PWLRBIQMOJKPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S.CH2O2/c18-14(11-5-8-21(19,20)10-11)15-6-4-12-9-17-7-2-1-3-13(17)16-12;2-1-3/h1-3,7,9,11H,4-6,8,10H2,(H,15,18);1H,(H,2,3).
What are the key properties of formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide?
formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 154904325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).