methyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate

C12H11NO3S2 — CID 1245967

IUPACmethyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1csc(C)c1
InChIInChI=1S/C12H11NO3S2/c1-7-5-8(6-18-7)11(14)13-9-3-4-17-10(9)12(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyBUIZWUHTUPUZCX-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.16
Rot. Bonds3

About methyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 1245967) has the molecular formula C12H11NO3S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate
PubChem CID1245967
Molecular FormulaC12H11NO3S2
Molecular Weight281.36 g/mol
Exact Mass281.02
IUPAC Namemethyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1csc(C)c1
InChIInChI=1S/C12H11NO3S2/c1-7-5-8(6-18-7)11(14)13-9-3-4-17-10(9)12(15)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyBUIZWUHTUPUZCX-UHFFFAOYSA-N
XLogP3.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate (CID 1245967) is methyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1csc(C)c1.
What is the InChIKey of methyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is BUIZWUHTUPUZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S2/c1-7-5-8(6-18-7)11(14)13-9-3-4-17-10(9)12(15)16-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methylthiophene-3-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 1245967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).