1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide

C18H18N4O3S — CID 75463283

IUPAC1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide
SMILESO=C(Nc1ccc(Cc2nnc3ccccn23)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H18N4O3S/c23-18(14-8-10-26(24,25)12-14)19-15-6-4-13(5-7-15)11-17-21-20-16-3-1-2-9-22(16)17/h1-7,9,14H,8,10-12H2,(H,19,23)
InChIKeyYRQPAVNWGMQUSY-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.69
Rot. Bonds4

About 1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide

1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide (PubChem CID 75463283) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide.

Molecular Properties

Compound Name1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide
PubChem CID75463283
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide
SMILESO=C(Nc1ccc(Cc2nnc3ccccn23)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H18N4O3S/c23-18(14-8-10-26(24,25)12-14)19-15-6-4-13(5-7-15)11-17-21-20-16-3-1-2-9-22(16)17/h1-7,9,14H,8,10-12H2,(H,19,23)
InChIKeyYRQPAVNWGMQUSY-UHFFFAOYSA-N
XLogP1.69
TPSA93.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide with MolForge

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride
CID 120799421
2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide
CID 75463395
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 94176973
1,1-dioxo-N-[4-(2-trimethylsilylethyl)phenyl]thiolane-3-carboxamide
CID 126819818
3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide
CID 56786702
1,1-dioxo-N-(4-phenyldiazenylphenyl)thiolane-3-carboxamide
CID 71901635
1,1-dioxo-N-[4-(propylaminomethyl)phenyl]thiolane-3-carboxamide
CID 106910300
N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 17466033
1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 86936591
(3R)-1,1-dioxo-N-(4-piperidin-1-ylphenyl)thiolane-3-carboxamide
CID 40952898
N-(3-amino-4-ethylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 62057642

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide?
The IUPAC name of 1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide (CID 75463283) is 1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide.
What is the SMILES notation for 1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide?
The canonical SMILES for 1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide is O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide?
The InChIKey is YRQPAVNWGMQUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-18(14-8-10-26(24,25)12-14)19-15-6-4-13(5-7-15)11-17-21-20-16-3-1-2-9-22(16)17/h1-7,9,14H,8,10-12H2,(H,19,23).
What are the key properties of 1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide?
1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide is sourced from PubChem (CID 75463283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).