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

C12H12N2O4S2 — CID 26705042

IUPACmethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H12N2O4S2/c1-7-6-20-12(17)14(7)5-9(15)13-8-3-4-19-10(8)11(16)18-2/h3-4,6H,5H2,1-2H3,(H,13,15)
InChIKeyZTUHQNXNWWGSTC-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.71
Rot. Bonds4

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

methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate (PubChem CID 26705042) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate
PubChem CID26705042
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Namemethyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C12H12N2O4S2/c1-7-6-20-12(17)14(7)5-9(15)13-8-3-4-19-10(8)11(16)18-2/h3-4,6H,5H2,1-2H3,(H,13,15)
InChIKeyZTUHQNXNWWGSTC-UHFFFAOYSA-N
XLogP1.71
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358105
methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703502
methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 55173040
methyl 3-[[2-(5-methyltetrazol-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 122146886
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 43556558
methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate
CID 43408027
methyl 3-(3-methylpentanoylamino)thiophene-2-carboxylate
CID 114875732
methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
CID 69175818
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 39498551
methyl 3-[[2-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4,6-dimethyl-2-oxo-1-pyridinyl]acetyl]amino]thiophene-2-carboxylate
CID 27371335
methyl 3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate
CID 5178717

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate (CID 26705042) is methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Cn1c(C)csc1=O.
What is the InChIKey of methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is ZTUHQNXNWWGSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-7-6-20-12(17)14(7)5-9(15)13-8-3-4-19-10(8)11(16)18-2/h3-4,6H,5H2,1-2H3,(H,13,15).
What are the key properties of methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 26705042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).