3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide

C9H7F3N2O2S — CID 54923191

IUPAC3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CC(F)(F)F)Nc1ncc(C#CCO)s1
InChIInChI=1S/C9H7F3N2O2S/c10-9(11,12)4-7(16)14-8-13-5-6(17-8)2-1-3-15/h5,15H,3-4H2,(H,13,14,16)
InChIKeyWVDFMWCFFLQHPQ-UHFFFAOYSA-N
MW264.23 g/mol
LogP1.38
Rot. Bonds2

About 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide

3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 54923191) has the molecular formula C9H7F3N2O2S and a molecular weight of 264.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
PubChem CID54923191
Molecular FormulaC9H7F3N2O2S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC Name3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CC(F)(F)F)Nc1ncc(C#CCO)s1
InChIInChI=1S/C9H7F3N2O2S/c10-9(11,12)4-7(16)14-8-13-5-6(17-8)2-1-3-15/h5,15H,3-4H2,(H,13,14,16)
InChIKeyWVDFMWCFFLQHPQ-UHFFFAOYSA-N
XLogP1.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide (CID 54923191) is 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide is O=C(CC(F)(F)F)Nc1ncc(C#CCO)s1.
What is the InChIKey of 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is WVDFMWCFFLQHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2S/c10-9(11,12)4-7(16)14-8-13-5-6(17-8)2-1-3-15/h5,15H,3-4H2,(H,13,14,16).
What are the key properties of 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 264.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 54923191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).