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

C11H12N2O2S — CID 903129

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1=NCCS1
InChIInChI=1S/C11H12N2O2S/c14-10(13-11-12-6-7-16-11)8-15-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13,14)
InChIKeyACAJVNFRRNPOQX-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.28
Rot. Bonds3

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide (PubChem CID 903129) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide
PubChem CID903129
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1=NCCS1
InChIInChI=1S/C11H12N2O2S/c14-10(13-11-12-6-7-16-11)8-15-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13,14)
InChIKeyACAJVNFRRNPOQX-UHFFFAOYSA-N
XLogP1.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide (CID 903129) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide?
The InChIKey is ACAJVNFRRNPOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-10(13-11-12-6-7-16-11)8-15-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13,14).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxyacetamide has a molecular weight of 236.30 g/mol, XLogP of 1.28, 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-phenoxyacetamide is sourced from PubChem (CID 903129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).