(2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate

C18H16N2O3S — CID 2357547

IUPAC(2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCc1csc(Nc2ccccc2)n1
InChIInChI=1S/C18H16N2O3S/c21-17(12-22-16-9-5-2-6-10-16)23-11-15-13-24-18(20-15)19-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,19,20)
InChIKeyNYVRSRFJTVPQLJ-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.01
Rot. Bonds7

About (2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate

(2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate (PubChem CID 2357547) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate.

Molecular Properties

Compound Name(2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate
PubChem CID2357547
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCc1csc(Nc2ccccc2)n1
InChIInChI=1S/C18H16N2O3S/c21-17(12-22-16-9-5-2-6-10-16)23-11-15-13-24-18(20-15)19-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,19,20)
InChIKeyNYVRSRFJTVPQLJ-UHFFFAOYSA-N
XLogP4.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate?
The IUPAC name of (2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate (CID 2357547) is (2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate.
What is the SMILES notation for (2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate?
The canonical SMILES for (2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate is O=C(COc1ccccc1)OCc1csc(Nc2ccccc2)n1.
What is the InChIKey of (2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate?
The InChIKey is NYVRSRFJTVPQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-17(12-22-16-9-5-2-6-10-16)23-11-15-13-24-18(20-15)19-14-7-3-1-4-8-14/h1-10,13H,11-12H2,(H,19,20).
What are the key properties of (2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate?
(2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate has a molecular weight of 340.40 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-1,3-thiazol-4-yl)methyl 2-phenoxyacetate is sourced from PubChem (CID 2357547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).