N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide

C12H14N2O2S — CID 2960893

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC1=NCCS1
InChIInChI=1S/C12H14N2O2S/c1-9(16-10-5-3-2-4-6-10)11(15)14-12-13-7-8-17-12/h2-6,9H,7-8H2,1H3,(H,13,14,15)
InChIKeyLKBNBUKERTUSSJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.67
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide (PubChem CID 2960893) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
PubChem CID2960893
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC1=NCCS1
InChIInChI=1S/C12H14N2O2S/c1-9(16-10-5-3-2-4-6-10)11(15)14-12-13-7-8-17-12/h2-6,9H,7-8H2,1H3,(H,13,14,15)
InChIKeyLKBNBUKERTUSSJ-UHFFFAOYSA-N
XLogP1.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide
CID 52876063
(2S)-2-phenoxy-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 936294
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphoryl]urea
CID 23269356
(2S)-2-phenoxy-N-pyridin-4-ylpropanamide
CID 670007
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-[methyl(phenoxy)phosphinothioyl]urea
CID 23269357
N-methyl-2-phenoxypropanamide
CID 4626974
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide (CID 2960893) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide?
The InChIKey is LKBNBUKERTUSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9(16-10-5-3-2-4-6-10)11(15)14-12-13-7-8-17-12/h2-6,9H,7-8H2,1H3,(H,13,14,15).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide has a molecular weight of 250.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide is sourced from PubChem (CID 2960893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).