N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

C14H18N4O3S2 — CID 3916515

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCCN(C(=O)CSc1nnc2ccccn12)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H18N4O3S2/c1-2-17(11-6-8-23(20,21)10-11)13(19)9-22-14-16-15-12-5-3-4-7-18(12)14/h3-5,7,11H,2,6,8-10H2,1H3
InChIKeyZTLXJMGSTKVYOO-UHFFFAOYSA-N
MW354.46 g/mol
LogP0.86
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (PubChem CID 3916515) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
PubChem CID3916515
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
SMILESCCN(C(=O)CSc1nnc2ccccn12)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H18N4O3S2/c1-2-17(11-6-8-23(20,21)10-11)13(19)9-22-14-16-15-12-5-3-4-7-18(12)14/h3-5,7,11H,2,6,8-10H2,1H3
InChIKeyZTLXJMGSTKVYOO-UHFFFAOYSA-N
XLogP0.86
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-Methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2087343
N-pentan-2-yl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 3961316
1-(3-Methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 16301529
N-(thiophen-2-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2374635
N-(3-methylbutylcarbamoyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 2622635
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 3909417
2-([1,2,4]Triazolo[4,3-a]pyridin-3-ylthio)propanamide
CID 4335968
N-(1,1-dioxothiolan-3-yl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 5181195
N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 16507675
1-(3,5-Dimethylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 3951444
1-(2-Methylpiperidin-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 4085139
N-(2-methylpropyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 4882475

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide (CID 3916515) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is CCN(C(=O)CSc1nnc2ccccn12)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
The InChIKey is ZTLXJMGSTKVYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-2-17(11-6-8-23(20,21)10-11)13(19)9-22-14-16-15-12-5-3-4-7-18(12)14/h3-5,7,11H,2,6,8-10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide has a molecular weight of 354.46 g/mol, XLogP of 0.86, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide is sourced from PubChem (CID 3916515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).