2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide

C13H12F3N3O3S — CID 57293921

IUPAC2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide
SMILESO=C(N[C@@H](CO)C(=O)C1(Cc2nccs2)C=CC=N1)C(F)(F)F
InChIInChI=1S/C13H12F3N3O3S/c14-13(15,16)11(22)19-8(7-20)10(21)12(2-1-3-18-12)6-9-17-4-5-23-9/h1-5,8,20H,6-7H2,(H,19,22)/t8-,12?/m0/s1
InChIKeyRQEIZGKGUILWGM-KBPLZSHQSA-N
MW347.32 g/mol
LogP0.67
Rot. Bonds6

About 2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide

2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide (PubChem CID 57293921) has the molecular formula C13H12F3N3O3S and a molecular weight of 347.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide
PubChem CID57293921
Molecular FormulaC13H12F3N3O3S
Molecular Weight347.32 g/mol
Exact Mass347.06
IUPAC Name2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide
SMILESO=C(N[C@@H](CO)C(=O)C1(Cc2nccs2)C=CC=N1)C(F)(F)F
InChIInChI=1S/C13H12F3N3O3S/c14-13(15,16)11(22)19-8(7-20)10(21)12(2-1-3-18-12)6-9-17-4-5-23-9/h1-5,8,20H,6-7H2,(H,19,22)/t8-,12?/m0/s1
InChIKeyRQEIZGKGUILWGM-KBPLZSHQSA-N
XLogP0.67
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide (CID 57293921) is 2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide is O=C(N[C@@H](CO)C(=O)C1(Cc2nccs2)C=CC=N1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide?
The InChIKey is RQEIZGKGUILWGM-KBPLZSHQSA-N. The full InChI is InChI=1S/C13H12F3N3O3S/c14-13(15,16)11(22)19-8(7-20)10(21)12(2-1-3-18-12)6-9-17-4-5-23-9/h1-5,8,20H,6-7H2,(H,19,22)/t8-,12?/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide has a molecular weight of 347.32 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2S)-3-hydroxy-1-oxo-1-[2-(1,3-thiazol-2-ylmethyl)pyrrol-2-yl]propan-2-yl]acetamide is sourced from PubChem (CID 57293921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).