ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate

C19H16N2O3S — CID 7315331

IUPACethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C19H16N2O3S/c1-2-24-19(23)21-18-20-15(13-9-5-3-6-10-13)17(25-18)16(22)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,21,23)
InChIKeyVMTZCTQCFMWSEO-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.61
Rot. Bonds5

About ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate

ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate (PubChem CID 7315331) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate
PubChem CID7315331
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Nameethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate
SMILESCCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C19H16N2O3S/c1-2-24-19(23)21-18-20-15(13-9-5-3-6-10-13)17(25-18)16(22)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,21,23)
InChIKeyVMTZCTQCFMWSEO-UHFFFAOYSA-N
XLogP4.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate (CID 7315331) is ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate is CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is VMTZCTQCFMWSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-2-24-19(23)21-18-20-15(13-9-5-3-6-10-13)17(25-18)16(22)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,20,21,23).
What are the key properties of ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate?
ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 352.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 7315331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).