N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide

C10H9F3N2O3S — CID 103209852

IUPACN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ncc(C#CCO)s1
InChIInChI=1S/C10H9F3N2O3S/c11-10(12,13)6-18-5-8(17)15-9-14-4-7(19-9)2-1-3-16/h4,16H,3,5-6H2,(H,14,15,17)
InChIKeyAPAFCAVRBBTRIY-UHFFFAOYSA-N
MW294.25 g/mol
LogP1.00
Rot. Bonds4

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

N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209852) has the molecular formula C10H9F3N2O3S and a molecular weight of 294.25 g/mol. Its IUPAC name is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209852
Molecular FormulaC10H9F3N2O3S
Molecular Weight294.25 g/mol
Exact Mass294.03
IUPAC NameN-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1ncc(C#CCO)s1
InChIInChI=1S/C10H9F3N2O3S/c11-10(12,13)6-18-5-8(17)15-9-14-4-7(19-9)2-1-3-16/h4,16H,3,5-6H2,(H,14,15,17)
InChIKeyAPAFCAVRBBTRIY-UHFFFAOYSA-N
XLogP1.00
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209852) is N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1ncc(C#CCO)s1.
What is the InChIKey of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is APAFCAVRBBTRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3S/c11-10(12,13)6-18-5-8(17)15-9-14-4-7(19-9)2-1-3-16/h4,16H,3,5-6H2,(H,14,15,17).
What are the key properties of N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 294.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).