N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide

C11H11FN4OS — CID 171130709

IUPACN-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NN=Cc2ccc(F)s2)c1
InChIInChI=1S/C11H11FN4OS/c1-8-4-14-16(6-8)7-11(17)15-13-5-9-2-3-10(12)18-9/h2-6H,7H2,1H3,(H,15,17)
InChIKeyDUJXGZUOKWPTKC-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.54
Rot. Bonds4

About N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide

N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 171130709) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID171130709
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC NameN-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCc1cnn(CC(=O)NN=Cc2ccc(F)s2)c1
InChIInChI=1S/C11H11FN4OS/c1-8-4-14-16(6-8)7-11(17)15-13-5-9-2-3-10(12)18-9/h2-6H,7H2,1H3,(H,15,17)
InChIKeyDUJXGZUOKWPTKC-UHFFFAOYSA-N
XLogP1.54
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.54
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 N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide (CID 171130709) is N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide is Cc1cnn(CC(=O)NN=Cc2ccc(F)s2)c1.
What is the InChIKey of N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is DUJXGZUOKWPTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4OS/c1-8-4-14-16(6-8)7-11(17)15-13-5-9-2-3-10(12)18-9/h2-6H,7H2,1H3,(H,15,17).
What are the key properties of N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide?
N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluorothiophen-2-yl)methylideneamino]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 171130709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).