2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide

C11H11N3OS — CID 62374548

IUPAC2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
SMILESCc1nc2ccccc2n(CC(N)=S)c1=O
InChIInChI=1S/C11H11N3OS/c1-7-11(15)14(6-10(12)16)9-5-3-2-4-8(9)13-7/h2-5H,6H2,1H3,(H2,12,16)
InChIKeyYZNFXTZHQWMECN-UHFFFAOYSA-N
MW233.30 g/mol
LogP0.99
Rot. Bonds2

About 2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide

2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide (PubChem CID 62374548) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide.

Molecular Properties

Compound Name2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
PubChem CID62374548
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
SMILESCc1nc2ccccc2n(CC(N)=S)c1=O
InChIInChI=1S/C11H11N3OS/c1-7-11(15)14(6-10(12)16)9-5-3-2-4-8(9)13-7/h2-5H,6H2,1H3,(H2,12,16)
InChIKeyYZNFXTZHQWMECN-UHFFFAOYSA-N
XLogP0.99
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide
CID 65260313
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylquinoxalin-2-one
CID 95921163
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 39967043
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 46507840
2-[2-[2-(4-methylphenyl)ethyl]benzimidazol-1-yl]ethanethioamide
CID 39148199
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one
CID 66221507

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide?
The IUPAC name of 2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide (CID 62374548) is 2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide.
What is the SMILES notation for 2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide?
The canonical SMILES for 2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide is Cc1nc2ccccc2n(CC(N)=S)c1=O.
What is the InChIKey of 2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide?
The InChIKey is YZNFXTZHQWMECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-11(15)14(6-10(12)16)9-5-3-2-4-8(9)13-7/h2-5H,6H2,1H3,(H2,12,16).
What are the key properties of 2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide?
2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide has a molecular weight of 233.30 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide is sourced from PubChem (CID 62374548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).