N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide

C14H14F2N2O2S — CID 89279295

IUPACN-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ncc(C(C)(F)F)s1
InChIInChI=1S/C14H14F2N2O2S/c1-9(20-10-6-4-3-5-7-10)12(19)18-13-17-8-11(21-13)14(2,15)16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyBKQMKYJMXIPVHY-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.66
Rot. Bonds5

About N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide

N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide (PubChem CID 89279295) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
PubChem CID89279295
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC NameN-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ncc(C(C)(F)F)s1
InChIInChI=1S/C14H14F2N2O2S/c1-9(20-10-6-4-3-5-7-10)12(19)18-13-17-8-11(21-13)14(2,15)16/h3-9H,1-2H3,(H,17,18,19)
InChIKeyBKQMKYJMXIPVHY-UHFFFAOYSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
(2S)-2-phenoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 795494
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2988067
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide
CID 46481508
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 936294
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2678069
2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190941
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9094325

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The IUPAC name of N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide (CID 89279295) is N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide.
What is the SMILES notation for N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The canonical SMILES for N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1ncc(C(C)(F)F)s1.
What is the InChIKey of N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide?
The InChIKey is BKQMKYJMXIPVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-9(20-10-6-4-3-5-7-10)12(19)18-13-17-8-11(21-13)14(2,15)16/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide?
N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide has a molecular weight of 312.34 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide is sourced from PubChem (CID 89279295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).