N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide

C16H12N6O2S2 — CID 59363932

IUPACN,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide
SMILESO=C(Nc1[nH]ncc1-c1cccs1)C(=O)Nc1[nH]ncc1-c1cccs1
InChIInChI=1S/C16H12N6O2S2/c23-15(19-13-9(7-17-21-13)11-3-1-5-25-11)16(24)20-14-10(8-18-22-14)12-4-2-6-26-12/h1-8H,(H2,17,19,21,23)(H2,18,20,22,24)
InChIKeyXEKHTNMCOQQWTQ-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.17
Rot. Bonds4

About N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide

N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide (PubChem CID 59363932) has the molecular formula C16H12N6O2S2 and a molecular weight of 384.45 g/mol. Its IUPAC name is N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide.

Molecular Properties

Compound NameN,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide
PubChem CID59363932
Molecular FormulaC16H12N6O2S2
Molecular Weight384.45 g/mol
Exact Mass384.05
IUPAC NameN,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide
SMILESO=C(Nc1[nH]ncc1-c1cccs1)C(=O)Nc1[nH]ncc1-c1cccs1
InChIInChI=1S/C16H12N6O2S2/c23-15(19-13-9(7-17-21-13)11-3-1-5-25-11)16(24)20-14-10(8-18-22-14)12-4-2-6-26-12/h1-8H,(H2,17,19,21,23)(H2,18,20,22,24)
InChIKeyXEKHTNMCOQQWTQ-UHFFFAOYSA-N
XLogP3.17
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide?
The IUPAC name of N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide (CID 59363932) is N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide.
What is the SMILES notation for N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide?
The canonical SMILES for N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide is O=C(Nc1[nH]ncc1-c1cccs1)C(=O)Nc1[nH]ncc1-c1cccs1.
What is the InChIKey of N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide?
The InChIKey is XEKHTNMCOQQWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O2S2/c23-15(19-13-9(7-17-21-13)11-3-1-5-25-11)16(24)20-14-10(8-18-22-14)12-4-2-6-26-12/h1-8H,(H2,17,19,21,23)(H2,18,20,22,24).
What are the key properties of N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide?
N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide has a molecular weight of 384.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-thiophen-2-yl-1H-pyrazol-5-yl)oxamide is sourced from PubChem (CID 59363932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).