3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

C18H14N4O2S2 — CID 108742100

IUPAC3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C18H14N4O2S2/c23-16(22-18-21-14(10-26-18)15-6-3-9-25-15)8-7-13-17(24)20-12-5-2-1-4-11(12)19-13/h1-6,9-10H,7-8H2,(H,20,24)(H,21,22,23)
InChIKeyXOCCHRRIBCUNNQ-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.68
Rot. Bonds5

About 3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide

3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 108742100) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID108742100
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC Name3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C18H14N4O2S2/c23-16(22-18-21-14(10-26-18)15-6-3-9-25-15)8-7-13-17(24)20-12-5-2-1-4-11(12)19-13/h1-6,9-10H,7-8H2,(H,20,24)(H,21,22,23)
InChIKeyXOCCHRRIBCUNNQ-UHFFFAOYSA-N
XLogP3.68
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 108733420
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 108727285
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164774
3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 55381245
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666
N-(2-ethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164668
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
3-(3-oxo-4H-quinoxalin-2-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 110743916
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2474420
4-(4-fluorophenyl)-4-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 108742129
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 36668177

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide (CID 108742100) is 3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is O=C(CCc1nc2ccccc2[nH]c1=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is XOCCHRRIBCUNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c23-16(22-18-21-14(10-26-18)15-6-3-9-25-15)8-7-13-17(24)20-12-5-2-1-4-11(12)19-13/h1-6,9-10H,7-8H2,(H,20,24)(H,21,22,23).
What are the key properties of 3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide?
3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 382.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-4H-quinoxalin-2-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 108742100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).