2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide

C12H9N3O2S2 — CID 25137988

IUPAC2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(C#Cc2ccsc2)cc1C(N)=O
InChIInChI=1S/C12H9N3O2S2/c13-10(16)9-5-8(19-11(9)15-12(14)17)2-1-7-3-4-18-6-7/h3-6H,(H2,13,16)(H3,14,15,17)
InChIKeyUURPHNQEUBECEC-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.80
Rot. Bonds2

About 2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide

2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide (PubChem CID 25137988) has the molecular formula C12H9N3O2S2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide
PubChem CID25137988
Molecular FormulaC12H9N3O2S2
Molecular Weight291.36 g/mol
Exact Mass291.01
IUPAC Name2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(C#Cc2ccsc2)cc1C(N)=O
InChIInChI=1S/C12H9N3O2S2/c13-10(16)9-5-8(19-11(9)15-12(14)17)2-1-7-3-4-18-6-7/h3-6H,(H2,13,16)(H3,14,15,17)
InChIKeyUURPHNQEUBECEC-UHFFFAOYSA-N
XLogP1.80
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide (CID 25137988) is 2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide is NC(=O)Nc1sc(C#Cc2ccsc2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide?
The InChIKey is UURPHNQEUBECEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S2/c13-10(16)9-5-8(19-11(9)15-12(14)17)2-1-7-3-4-18-6-7/h3-6H,(H2,13,16)(H3,14,15,17).
What are the key properties of 2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide?
2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(2-thiophen-3-ylethynyl)thiophene-3-carboxamide is sourced from PubChem (CID 25137988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).