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

C17H16N2O2S — CID 2081477

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NC1=NCCS1
InChIInChI=1S/C17H16N2O2S/c20-16(19-17-18-10-11-22-17)12-21-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19,20)
InChIKeyJLKKSTBBOGXQSR-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.95
Rot. Bonds4

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide (PubChem CID 2081477) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide
PubChem CID2081477
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NC1=NCCS1
InChIInChI=1S/C17H16N2O2S/c20-16(19-17-18-10-11-22-17)12-21-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19,20)
InChIKeyJLKKSTBBOGXQSR-UHFFFAOYSA-N
XLogP2.95
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(methylethyl)phenoxy]-N-(1,3-thiazolin-2-yl)acetamide
CID 1086015
1-[2-[(4-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone
CID 3607313
1-(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone
CID 4127627
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 801165
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)acetamide
CID 801462
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 903129
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 924631
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 2423141
2-(4-cyanophenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 2340817
1-[2-[(3-Fluorophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone
CID 4600553
6-amino-2-(2-(4-tert-butylphenoxy)ethylsulfanyl)-1H-pyrimidin-4-one
CID 135406760
4-(4-tert-butylphenoxy)-N-(4,5-dihydrothiazol-2-yl)butanamide
CID 2124930

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide (CID 2081477) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide is O=C(COc1ccc(-c2ccccc2)cc1)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide?
The InChIKey is JLKKSTBBOGXQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c20-16(19-17-18-10-11-22-17)12-21-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,18,19,20).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide has a molecular weight of 312.39 g/mol, XLogP of 2.95, 4 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-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 2081477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).