benzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate

C17H15NO2S — CID 71452936

IUPACbenzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CSC(c2ccccc2)=N1
InChIInChI=1S/C17H15NO2S/c19-17(20-11-13-7-3-1-4-8-13)15-12-21-16(18-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyFEAZCOHGPPYHDN-HNNXBMFYSA-N
MW297.38 g/mol
LogP3.29
Rot. Bonds4

About benzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate

benzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate (PubChem CID 71452936) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is benzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
PubChem CID71452936
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Namebenzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CSC(c2ccccc2)=N1
InChIInChI=1S/C17H15NO2S/c19-17(20-11-13-7-3-1-4-8-13)15-12-21-16(18-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1
InChIKeyFEAZCOHGPPYHDN-HNNXBMFYSA-N
XLogP3.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate?
The IUPAC name of benzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate (CID 71452936) is benzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate.
What is the SMILES notation for benzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate?
The canonical SMILES for benzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate is O=C(OCc1ccccc1)[C@@H]1CSC(c2ccccc2)=N1.
What is the InChIKey of benzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate?
The InChIKey is FEAZCOHGPPYHDN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H15NO2S/c19-17(20-11-13-7-3-1-4-8-13)15-12-21-16(18-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1.
What are the key properties of benzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate?
benzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71452936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).