4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide

C20H17N5O3S — CID 92626244

IUPAC4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide
SMILESC[C@H](Oc1ccccc1)c1nnc(NC(=O)c2nc3ccccc3n(C)c2=O)s1
InChIInChI=1S/C20H17N5O3S/c1-12(28-13-8-4-3-5-9-13)18-23-24-20(29-18)22-17(26)16-19(27)25(2)15-11-7-6-10-14(15)21-16/h3-12H,1-2H3,(H,22,24,26)/t12-/m0/s1
InChIKeyBHERUVNVTKWXET-LBPRGKRZSA-N
MW407.46 g/mol
LogP3.18
Rot. Bonds5

About 4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide

4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide (PubChem CID 92626244) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is 4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide
PubChem CID92626244
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide
SMILESC[C@H](Oc1ccccc1)c1nnc(NC(=O)c2nc3ccccc3n(C)c2=O)s1
InChIInChI=1S/C20H17N5O3S/c1-12(28-13-8-4-3-5-9-13)18-23-24-20(29-18)22-17(26)16-19(27)25(2)15-11-7-6-10-14(15)21-16/h3-12H,1-2H3,(H,22,24,26)/t12-/m0/s1
InChIKeyBHERUVNVTKWXET-LBPRGKRZSA-N
XLogP3.18
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide with MolForge

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Related Compounds

5-(4-methylphenyl)-N-[5-(1-phenoxyethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 46975075
4-methyl-3-oxo-N-[(1R)-1-phenylethyl]quinoxaline-2-carboxamide
CID 92877606
N-(2,6-dimethylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365020
N-(2,5-dimethoxyphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46364976
4-methyl-3-oxo-N-pyridin-2-ylquinoxaline-2-carboxamide
CID 53009406
1-methyl-3-propan-2-yloxyquinoxalin-2-one
CID 162372195
N-[1-(1-adamantyl)ethyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 50808151
2-(2-cyclopropylbenzimidazol-1-yl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 134699026
N-(5-fluoro-2-methylphenyl)-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46365046
N-[2-(2-ethoxyphenyl)phenyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 46976106
N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-methyl-3-oxoquinoxaline-2-carboxamide
CID 118778692
(2R)-2-[[(1R)-1-(4-methyl-3-oxoquinoxalin-2-yl)ethyl]amino]-2-phenylacetamide
CID 68862680

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide?
The IUPAC name of 4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide (CID 92626244) is 4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for 4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide?
The canonical SMILES for 4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide is C[C@H](Oc1ccccc1)c1nnc(NC(=O)c2nc3ccccc3n(C)c2=O)s1.
What is the InChIKey of 4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide?
The InChIKey is BHERUVNVTKWXET-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-12(28-13-8-4-3-5-9-13)18-23-24-20(29-18)22-17(26)16-19(27)25(2)15-11-7-6-10-14(15)21-16/h3-12H,1-2H3,(H,22,24,26)/t12-/m0/s1.
What are the key properties of 4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide?
4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-oxo-N-[5-[(1S)-1-phenoxyethyl]-1,3,4-thiadiazol-2-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 92626244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).