N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

C14H15N3O3S — CID 74236872

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1cccn2c(CC(=O)NC3C=CS(=O)(=O)C3)cnc12
InChIInChI=1S/C14H15N3O3S/c1-10-3-2-5-17-12(8-15-14(10)17)7-13(18)16-11-4-6-21(19,20)9-11/h2-6,8,11H,7,9H2,1H3,(H,16,18)
InChIKeyTVOCHYQSXJZRCV-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.61
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 74236872) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID74236872
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1cccn2c(CC(=O)NC3C=CS(=O)(=O)C3)cnc12
InChIInChI=1S/C14H15N3O3S/c1-10-3-2-5-17-12(8-15-14(10)17)7-13(18)16-11-4-6-21(19,20)9-11/h2-6,8,11H,7,9H2,1H3,(H,16,18)
InChIKeyTVOCHYQSXJZRCV-UHFFFAOYSA-N
XLogP0.61
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 74236872) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide is Cc1cccn2c(CC(=O)NC3C=CS(=O)(=O)C3)cnc12.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is TVOCHYQSXJZRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-10-3-2-5-17-12(8-15-14(10)17)7-13(18)16-11-4-6-21(19,20)9-11/h2-6,8,11H,7,9H2,1H3,(H,16,18).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 305.36 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 74236872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).