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

C12H11F3N2O2S2 — CID 103723348

IUPAC2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NCC(O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O2S2/c13-12(14,15)9(18)5-16-10(19)4-7-6-21-11(17-7)8-2-1-3-20-8/h1-3,6,9,18H,4-5H2,(H,16,19)
InChIKeyYKMUFYJYVVNQPU-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.45
Rot. Bonds5

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

2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103723348) has the molecular formula C12H11F3N2O2S2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103723348
Molecular FormulaC12H11F3N2O2S2
Molecular Weight336.36 g/mol
Exact Mass336.02
IUPAC Name2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(Cc1csc(-c2cccs2)n1)NCC(O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O2S2/c13-12(14,15)9(18)5-16-10(19)4-7-6-21-11(17-7)8-2-1-3-20-8/h1-3,6,9,18H,4-5H2,(H,16,19)
InChIKeyYKMUFYJYVVNQPU-UHFFFAOYSA-N
XLogP2.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103723348) is 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(Cc1csc(-c2cccs2)n1)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is YKMUFYJYVVNQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S2/c13-12(14,15)9(18)5-16-10(19)4-7-6-21-11(17-7)8-2-1-3-20-8/h1-3,6,9,18H,4-5H2,(H,16,19).
What are the key properties of 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 336.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103723348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).