4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid

C10H9N3O4S2 — CID 82225310

IUPAC4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1c(C(=O)O)sc(=O)n1CC(=O)Nc1nccs1
InChIInChI=1S/C10H9N3O4S2/c1-5-7(8(15)16)19-10(17)13(5)4-6(14)12-9-11-2-3-18-9/h2-3H,4H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyLTSGUZHLJRZALA-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.01
Rot. Bonds4

About 4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 82225310) has the molecular formula C10H9N3O4S2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID82225310
Molecular FormulaC10H9N3O4S2
Molecular Weight299.33 g/mol
Exact Mass299.00
IUPAC Name4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1c(C(=O)O)sc(=O)n1CC(=O)Nc1nccs1
InChIInChI=1S/C10H9N3O4S2/c1-5-7(8(15)16)19-10(17)13(5)4-6(14)12-9-11-2-3-18-9/h2-3H,4H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyLTSGUZHLJRZALA-UHFFFAOYSA-N
XLogP1.01
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 63137210
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 121064311
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343
3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358105
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]butanoic acid
CID 43473463
2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 104976722
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
3-(2-methylhydrazinyl)-3-oxo-N-(1,3-thiazol-2-yl)propanamide
CID 129281286
2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 25475294

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid (CID 82225310) is 4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid is Cc1c(C(=O)O)sc(=O)n1CC(=O)Nc1nccs1.
What is the InChIKey of 4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is LTSGUZHLJRZALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S2/c1-5-7(8(15)16)19-10(17)13(5)4-6(14)12-9-11-2-3-18-9/h2-3H,4H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82225310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).