1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide

C16H17N5O2S2 — CID 7579696

IUPAC1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCSc1nnc(NC(=O)c2ccc3c(c2)nc(C)c(=O)n3CC)s1
InChIInChI=1S/C16H17N5O2S2/c1-4-21-12-7-6-10(8-11(12)17-9(3)14(21)23)13(22)18-15-19-20-16(25-15)24-5-2/h6-8H,4-5H2,1-3H3,(H,18,19,22)
InChIKeyPKZAXBQUBWNDIV-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.94
Rot. Bonds5

About 1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide

1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide (PubChem CID 7579696) has the molecular formula C16H17N5O2S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide
PubChem CID7579696
Molecular FormulaC16H17N5O2S2
Molecular Weight375.48 g/mol
Exact Mass375.08
IUPAC Name1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide
SMILESCCSc1nnc(NC(=O)c2ccc3c(c2)nc(C)c(=O)n3CC)s1
InChIInChI=1S/C16H17N5O2S2/c1-4-21-12-7-6-10(8-11(12)17-9(3)14(21)23)13(22)18-15-19-20-16(25-15)24-5-2/h6-8H,4-5H2,1-3H3,(H,18,19,22)
InChIKeyPKZAXBQUBWNDIV-UHFFFAOYSA-N
XLogP2.94
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze 1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide 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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dimethylbenzamide
CID 2885797
1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
1-ethyl-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)quinoxaline-6-carboxamide
CID 24655019
ethyl 2-[[5-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 55386656
1-ethyl-3-methyl-N-(4-methyl-2-pyridinyl)-2-oxoquinoxaline-6-carboxamide
CID 35029668
N-(3-acetylphenyl)-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 7992599
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 24586415
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 735257
1-ethyl-3-methyl-2-oxo-N-pentan-2-ylquinoxaline-6-carboxamide
CID 46684618
1-ethyl-3-methyl-N-(5-methylhexan-2-yl)-2-oxoquinoxaline-6-carboxamide
CID 24659166
1-ethyl-3-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoxaline-6-carboxamide
CID 9455424
1-ethyl-N-(4-methoxy-3-methylsulfanylphenyl)-3-methyl-2-oxoquinoxaline-6-carboxamide
CID 166236492

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide?
The IUPAC name of 1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide (CID 7579696) is 1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide.
What is the SMILES notation for 1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide?
The canonical SMILES for 1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide is CCSc1nnc(NC(=O)c2ccc3c(c2)nc(C)c(=O)n3CC)s1.
What is the InChIKey of 1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide?
The InChIKey is PKZAXBQUBWNDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S2/c1-4-21-12-7-6-10(8-11(12)17-9(3)14(21)23)13(22)18-15-19-20-16(25-15)24-5-2/h6-8H,4-5H2,1-3H3,(H,18,19,22).
What are the key properties of 1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide?
1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-methyl-2-oxoquinoxaline-6-carboxamide is sourced from PubChem (CID 7579696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).