2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide

C9H9F5N2OS — CID 114129313

IUPAC2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
SMILESCC(CNC(=O)C(F)(F)C(F)(F)F)c1nccs1
InChIInChI=1S/C9H9F5N2OS/c1-5(6-15-2-3-18-6)4-16-7(17)8(10,11)9(12,13)14/h2-3,5H,4H2,1H3,(H,16,17)
InChIKeyBERJHPWKILCIKG-UHFFFAOYSA-N
MW288.24 g/mol
LogP2.56
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide

2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide (PubChem CID 114129313) has the molecular formula C9H9F5N2OS and a molecular weight of 288.24 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
PubChem CID114129313
Molecular FormulaC9H9F5N2OS
Molecular Weight288.24 g/mol
Exact Mass288.04
IUPAC Name2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
SMILESCC(CNC(=O)C(F)(F)C(F)(F)F)c1nccs1
InChIInChI=1S/C9H9F5N2OS/c1-5(6-15-2-3-18-6)4-16-7(17)8(10,11)9(12,13)14/h2-3,5H,4H2,1H3,(H,16,17)
InChIKeyBERJHPWKILCIKG-UHFFFAOYSA-N
XLogP2.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583148
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
3,3-dimethyl-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 104576296
(2S)-2-amino-4-methyl-N-[2-(1,3-thiazol-2-yl)propyl]pentanamide
CID 114127505
2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428973
2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
6-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]pyridine-2-carboxamide
CID 104579250
2-(2-hydroxyphenyl)-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583126
3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583096
4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 114127534
4-[2-(1,3-thiazol-2-yl)propylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 114127126
3-bromo-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428974

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide (CID 114129313) is 2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide is CC(CNC(=O)C(F)(F)C(F)(F)F)c1nccs1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide?
The InChIKey is BERJHPWKILCIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5N2OS/c1-5(6-15-2-3-18-6)4-16-7(17)8(10,11)9(12,13)14/h2-3,5H,4H2,1H3,(H,16,17).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide?
2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide has a molecular weight of 288.24 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[2-(1,3-thiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 114129313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).