3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide

C8H9F3N2O2S — CID 64544865

IUPAC3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(O)c1csc(NC(=O)CC(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O2S/c1-4(14)5-3-16-7(12-5)13-6(15)2-8(9,10)11/h3-4,14H,2H2,1H3,(H,12,13,15)
InChIKeyFOSGSQBCGCUVPR-UHFFFAOYSA-N
MW254.23 g/mol
LogP2.09
Rot. Bonds3

About 3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide

3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 64544865) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID64544865
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(O)c1csc(NC(=O)CC(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O2S/c1-4(14)5-3-16-7(12-5)13-6(15)2-8(9,10)11/h3-4,14H,2H2,1H3,(H,12,13,15)
InChIKeyFOSGSQBCGCUVPR-UHFFFAOYSA-N
XLogP2.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide (CID 64544865) is 3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide is CC(O)c1csc(NC(=O)CC(F)(F)F)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is FOSGSQBCGCUVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c1-4(14)5-3-16-7(12-5)13-6(15)2-8(9,10)11/h3-4,14H,2H2,1H3,(H,12,13,15).
What are the key properties of 3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide?
3,3,3-trifluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 254.23 g/mol, XLogP of 2.09, 3 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-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 64544865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).