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

C11H12F2N2O3S — CID 103209853

IUPAC3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCOCC(F)F)Nc1ncc(C#CCO)s1
InChIInChI=1S/C11H12F2N2O3S/c12-9(13)7-18-5-3-10(17)15-11-14-6-8(19-11)2-1-4-16/h6,9,16H,3-5,7H2,(H,14,15,17)
InChIKeyLADITRBREFAJSE-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.10
Rot. Bonds6

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

3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 103209853) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
PubChem CID103209853
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC Name3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCOCC(F)F)Nc1ncc(C#CCO)s1
InChIInChI=1S/C11H12F2N2O3S/c12-9(13)7-18-5-3-10(17)15-11-14-6-8(19-11)2-1-4-16/h6,9,16H,3-5,7H2,(H,14,15,17)
InChIKeyLADITRBREFAJSE-UHFFFAOYSA-N
XLogP1.10
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide (CID 103209853) is 3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide is O=C(CCOCC(F)F)Nc1ncc(C#CCO)s1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is LADITRBREFAJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c12-9(13)7-18-5-3-10(17)15-11-14-6-8(19-11)2-1-4-16/h6,9,16H,3-5,7H2,(H,14,15,17).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide?
3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 290.29 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 103209853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).