N-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H9F3N4OS — CID 2346943

IUPACN-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NN=Cc1cccs1
InChIInChI=1S/C11H9F3N4OS/c12-11(13,14)9-3-4-18(17-9)7-10(19)16-15-6-8-2-1-5-20-8/h1-6H,7H2,(H,16,19)
InChIKeyOKSPZUGFOJESKY-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.11
Rot. Bonds4

About N-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 2346943) has the molecular formula C11H9F3N4OS and a molecular weight of 302.28 g/mol. Its IUPAC name is N-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID2346943
Molecular FormulaC11H9F3N4OS
Molecular Weight302.28 g/mol
Exact Mass302.04
IUPAC NameN-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NN=Cc1cccs1
InChIInChI=1S/C11H9F3N4OS/c12-11(13,14)9-3-4-18(17-9)7-10(19)16-15-6-8-2-1-5-20-8/h1-6H,7H2,(H,16,19)
InChIKeyOKSPZUGFOJESKY-UHFFFAOYSA-N
XLogP2.11
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.11
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-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 2346943) is N-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NN=Cc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is OKSPZUGFOJESKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4OS/c12-11(13,14)9-3-4-18(17-9)7-10(19)16-15-6-8-2-1-5-20-8/h1-6H,7H2,(H,16,19).
What are the key properties of N-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 302.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 2346943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).