3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid

C11H10N2O4S2 — CID 43358105

IUPAC3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C11H10N2O4S2/c1-6-5-19-11(17)13(6)4-8(14)12-7-2-3-18-9(7)10(15)16/h2-3,5H,4H2,1H3,(H,12,14)(H,15,16)
InChIKeyZPADKRQFLHRGFU-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.62
Rot. Bonds4

About 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid

3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid (PubChem CID 43358105) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid
PubChem CID43358105
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid
SMILESCc1csc(=O)n1CC(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C11H10N2O4S2/c1-6-5-19-11(17)13(6)4-8(14)12-7-2-3-18-9(7)10(15)16/h2-3,5H,4H2,1H3,(H,12,14)(H,15,16)
InChIKeyZPADKRQFLHRGFU-UHFFFAOYSA-N
XLogP1.62
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 26705042
4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
CID 43132376
4-fluoro-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
CID 43358586
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 78832417
N-(2-amino-4-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43287065
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]acetamide
CID 86820912
4-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzoic acid
CID 43171939
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 39498551
2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]propanoic acid
CID 43355368
4-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzamide
CID 9192131
N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 78830947
N-(2-hydroxy-2-methylpropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 65109590

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid (CID 43358105) is 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid is Cc1csc(=O)n1CC(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid?
The InChIKey is ZPADKRQFLHRGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c1-6-5-19-11(17)13(6)4-8(14)12-7-2-3-18-9(7)10(15)16/h2-3,5H,4H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid?
3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43358105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).