2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide

C11H9F3N2O2S2 — CID 81339960

IUPAC2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NOCC(F)(F)F
InChIInChI=1S/C11H9F3N2O2S2/c12-11(13,14)6-18-16-9(17)3-8-5-20-10(15-8)7-1-2-19-4-7/h1-2,4-5H,3,6H2,(H,16,17)
InChIKeyCSTLPRLDTBDUBR-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.02
Rot. Bonds5

About 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide

2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 81339960) has the molecular formula C11H9F3N2O2S2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound Name2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide
PubChem CID81339960
Molecular FormulaC11H9F3N2O2S2
Molecular Weight322.33 g/mol
Exact Mass322.01
IUPAC Name2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)NOCC(F)(F)F
InChIInChI=1S/C11H9F3N2O2S2/c12-11(13,14)6-18-16-9(17)3-8-5-20-10(15-8)7-1-2-19-4-7/h1-2,4-5H,3,6H2,(H,16,17)
InChIKeyCSTLPRLDTBDUBR-UHFFFAOYSA-N
XLogP3.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide (CID 81339960) is 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide is O=C(Cc1csc(-c2ccsc2)n1)NOCC(F)(F)F.
What is the InChIKey of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is CSTLPRLDTBDUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S2/c12-11(13,14)6-18-16-9(17)3-8-5-20-10(15-8)7-1-2-19-4-7/h1-2,4-5H,3,6H2,(H,16,17).
What are the key properties of 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide?
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 322.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 81339960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).