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

C10H6F6N2O2S — CID 103310508

IUPAC3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1ncc(C#CCO)s1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F6N2O2S/c11-9(12,13)6(10(14,15)16)7(20)18-8-17-4-5(21-8)2-1-3-19/h4,6,19H,3H2,(H,17,18,20)
InChIKeyXDMFHNZZOFDYQB-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.17
Rot. Bonds2

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

3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)propanamide (PubChem CID 103310508) has the molecular formula C10H6F6N2O2S and a molecular weight of 332.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)propanamide
PubChem CID103310508
Molecular FormulaC10H6F6N2O2S
Molecular Weight332.23 g/mol
Exact Mass332.01
IUPAC Name3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)propanamide
SMILESO=C(Nc1ncc(C#CCO)s1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F6N2O2S/c11-9(12,13)6(10(14,15)16)7(20)18-8-17-4-5(21-8)2-1-3-19/h4,6,19H,3H2,(H,17,18,20)
InChIKeyXDMFHNZZOFDYQB-UHFFFAOYSA-N
XLogP2.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.17
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]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)propanamide (CID 103310508) is 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)propanamide is O=C(Nc1ncc(C#CCO)s1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)propanamide?
The InChIKey is XDMFHNZZOFDYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6N2O2S/c11-9(12,13)6(10(14,15)16)7(20)18-8-17-4-5(21-8)2-1-3-19/h4,6,19H,3H2,(H,17,18,20).
What are the key properties of 3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)propanamide has a molecular weight of 332.23 g/mol, XLogP of 2.17, 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]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).