2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide

C13H15F3N2OS — CID 71993378

IUPAC2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
SMILESO=C(CC1C=CCC1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N2OS/c14-13(15,16)10-8-20-12(18-10)5-6-17-11(19)7-9-3-1-2-4-9/h1,3,8-9H,2,4-7H2,(H,17,19)
InChIKeySEEHCSNVAPVLFC-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.18
Rot. Bonds5

About 2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide

2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide (PubChem CID 71993378) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
PubChem CID71993378
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
SMILESO=C(CC1C=CCC1)NCCc1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H15F3N2OS/c14-13(15,16)10-8-20-12(18-10)5-6-17-11(19)7-9-3-1-2-4-9/h1,3,8-9H,2,4-7H2,(H,17,19)
InChIKeySEEHCSNVAPVLFC-UHFFFAOYSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide (CID 71993378) is 2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide is O=C(CC1C=CCC1)NCCc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The InChIKey is SEEHCSNVAPVLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS/c14-13(15,16)10-8-20-12(18-10)5-6-17-11(19)7-9-3-1-2-4-9/h1,3,8-9H,2,4-7H2,(H,17,19).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide has a molecular weight of 304.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 71993378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).