N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide

C10H12N2O2S — CID 156883419

IUPACN-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide
SMILESCc1c(NC(=O)C=O)sc2c1CCNC2
InChIInChI=1S/C10H12N2O2S/c1-6-7-2-3-11-4-8(7)15-10(6)12-9(14)5-13/h5,11H,2-4H2,1H3,(H,12,14)
InChIKeyPJNNAWSTJOOSHX-UHFFFAOYSA-N
MW224.28 g/mol
LogP0.84
Rot. Bonds2

About N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide

N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide (PubChem CID 156883419) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide
PubChem CID156883419
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide
SMILESCc1c(NC(=O)C=O)sc2c1CCNC2
InChIInChI=1S/C10H12N2O2S/c1-6-7-2-3-11-4-8(7)15-10(6)12-9(14)5-13/h5,11H,2-4H2,1H3,(H,12,14)
InChIKeyPJNNAWSTJOOSHX-UHFFFAOYSA-N
XLogP0.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide?
The IUPAC name of N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide (CID 156883419) is N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide is Cc1c(NC(=O)C=O)sc2c1CCNC2.
What is the InChIKey of N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide?
The InChIKey is PJNNAWSTJOOSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6-7-2-3-11-4-8(7)15-10(6)12-9(14)5-13/h5,11H,2-4H2,1H3,(H,12,14).
What are the key properties of N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide?
N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide has a molecular weight of 224.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-oxoacetamide is sourced from PubChem (CID 156883419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).