2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

C12H14N4OS — CID 6890314

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2cccs2)n1
InChIInChI=1S/C12H14N4OS/c1-9-6-10(2)16(15-9)8-12(17)14-13-7-11-4-3-5-18-11/h3-7H,8H2,1-2H3,(H,14,17)/b13-7+
InChIKeyNNXAOQDZLXWJNX-NTUHNPAUSA-N
MW262.34 g/mol
LogP1.71
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 6890314) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID6890314
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2cccs2)n1
InChIInChI=1S/C12H14N4OS/c1-9-6-10(2)16(15-9)8-12(17)14-13-7-11-4-3-5-18-11/h3-7H,8H2,1-2H3,(H,14,17)/b13-7+
InChIKeyNNXAOQDZLXWJNX-NTUHNPAUSA-N
XLogP1.71
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (CID 6890314) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is Cc1cc(C)n(CC(=O)N/N=C/c2cccs2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is NNXAOQDZLXWJNX-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-9-6-10(2)16(15-9)8-12(17)14-13-7-11-4-3-5-18-11/h3-7H,8H2,1-2H3,(H,14,17)/b13-7+.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 262.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6890314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).