N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide

C19H17ClN2O2S — CID 7216557

IUPACN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClN2O2S/c20-15-8-6-14(7-9-15)19-22-16(13-25-19)10-11-21-18(23)12-24-17-4-2-1-3-5-17/h1-9,13H,10-12H2,(H,21,23)
InChIKeyYCOIBTOHTSOCMQ-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.20
Rot. Bonds7

About N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide (PubChem CID 7216557) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
PubChem CID7216557
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClN2O2S/c20-15-8-6-14(7-9-15)19-22-16(13-25-19)10-11-21-18(23)12-24-17-4-2-1-3-5-17/h1-9,13H,10-12H2,(H,21,23)
InChIKeyYCOIBTOHTSOCMQ-UHFFFAOYSA-N
XLogP4.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide (CID 7216557) is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is YCOIBTOHTSOCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c20-15-8-6-14(7-9-15)19-22-16(13-25-19)10-11-21-18(23)12-24-17-4-2-1-3-5-17/h1-9,13H,10-12H2,(H,21,23).
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide?
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 372.88 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 7216557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).