2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide

C12H11N3O3S2 — CID 173101358

IUPAC2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide
SMILESCc1cc(C(=O)Nc2scc(C(N)=O)c2C(N)=O)cs1
InChIInChI=1S/C12H11N3O3S2/c1-5-2-6(3-19-5)11(18)15-12-8(10(14)17)7(4-20-12)9(13)16/h2-4H,1H3,(H2,13,16)(H2,14,17)(H,15,18)
InChIKeyFLZJSERKANIGFC-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.57
Rot. Bonds4

About 2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide

2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide (PubChem CID 173101358) has the molecular formula C12H11N3O3S2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide.

Molecular Properties

Compound Name2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide
PubChem CID173101358
Molecular FormulaC12H11N3O3S2
Molecular Weight309.37 g/mol
Exact Mass309.02
IUPAC Name2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide
SMILESCc1cc(C(=O)Nc2scc(C(N)=O)c2C(N)=O)cs1
InChIInChI=1S/C12H11N3O3S2/c1-5-2-6(3-19-5)11(18)15-12-8(10(14)17)7(4-20-12)9(13)16/h2-4H,1H3,(H2,13,16)(H2,14,17)(H,15,18)
InChIKeyFLZJSERKANIGFC-UHFFFAOYSA-N
XLogP1.57
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide?
The IUPAC name of 2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide (CID 173101358) is 2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide.
What is the SMILES notation for 2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide?
The canonical SMILES for 2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide is Cc1cc(C(=O)Nc2scc(C(N)=O)c2C(N)=O)cs1.
What is the InChIKey of 2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide?
The InChIKey is FLZJSERKANIGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S2/c1-5-2-6(3-19-5)11(18)15-12-8(10(14)17)7(4-20-12)9(13)16/h2-4H,1H3,(H2,13,16)(H2,14,17)(H,15,18).
What are the key properties of 2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide?
2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylthiophene-3-carbonyl)amino]thiophene-3,4-dicarboxamide is sourced from PubChem (CID 173101358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).