2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

C11H12N4OS — CID 6879126

IUPAC2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESCc1ccnn1CC(=O)N/N=C/c1cccs1
InChIInChI=1S/C11H12N4OS/c1-9-4-5-13-15(9)8-11(16)14-12-7-10-3-2-6-17-10/h2-7H,8H2,1H3,(H,14,16)/b12-7+
InChIKeyKRYDWSIGSVKCSS-KPKJPENVSA-N
MW248.31 g/mol
LogP1.40
Rot. Bonds4

About 2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 6879126) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID6879126
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESCc1ccnn1CC(=O)N/N=C/c1cccs1
InChIInChI=1S/C11H12N4OS/c1-9-4-5-13-15(9)8-11(16)14-12-7-10-3-2-6-17-10/h2-7H,8H2,1H3,(H,14,16)/b12-7+
InChIKeyKRYDWSIGSVKCSS-KPKJPENVSA-N
XLogP1.40
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.40
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-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (CID 6879126) is 2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is Cc1ccnn1CC(=O)N/N=C/c1cccs1.
What is the InChIKey of 2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is KRYDWSIGSVKCSS-KPKJPENVSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-9-4-5-13-15(9)8-11(16)14-12-7-10-3-2-6-17-10/h2-7H,8H2,1H3,(H,14,16)/b12-7+.
What are the key properties of 2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 248.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazol-1-yl)-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6879126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).