2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C13H13FN2O2S — CID 155976896

IUPAC2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)C(C)Oc2ccccc2F)n1
InChIInChI=1S/C13H13FN2O2S/c1-8-7-19-13(15-8)16-12(17)9(2)18-11-6-4-3-5-10(11)14/h3-7,9H,1-2H3,(H,15,16,17)
InChIKeyGUGMLZMGYLAWJP-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.00
Rot. Bonds4

About 2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 155976896) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID155976896
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)C(C)Oc2ccccc2F)n1
InChIInChI=1S/C13H13FN2O2S/c1-8-7-19-13(15-8)16-12(17)9(2)18-11-6-4-3-5-10(11)14/h3-7,9H,1-2H3,(H,15,16,17)
InChIKeyGUGMLZMGYLAWJP-UHFFFAOYSA-N
XLogP3.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
(2S)-2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7346463
2-(4-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 2970521
2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2679243
2-[[5-[1-(2-fluorophenoxy)ethyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43868146
2-(2-fluorophenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 45148684
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide
CID 43546883
2-(2-fluorophenoxy)-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 3323136
(2R)-2-(2-fluorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7815253
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 155976896) is 2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)C(C)Oc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is GUGMLZMGYLAWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-8-7-19-13(15-8)16-12(17)9(2)18-11-6-4-3-5-10(11)14/h3-7,9H,1-2H3,(H,15,16,17).
What are the key properties of 2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 280.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 155976896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).