methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate

C18H14N2O3S — CID 58033027

IUPACmethyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14N2O3S/c1-23-17(22)14-10-6-5-9-13(14)16(21)20-18-19-15(11-24-18)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20,21)
InChIKeyZSQPVEZFJNADBV-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.85
Rot. Bonds4

About methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate

methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate (PubChem CID 58033027) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
PubChem CID58033027
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Namemethyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H14N2O3S/c1-23-17(22)14-10-6-5-9-13(14)16(21)20-18-19-15(11-24-18)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20,21)
InChIKeyZSQPVEZFJNADBV-UHFFFAOYSA-N
XLogP3.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The IUPAC name of methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate (CID 58033027) is methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate.
What is the SMILES notation for methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The canonical SMILES for methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate is COC(=O)c1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The InChIKey is ZSQPVEZFJNADBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-23-17(22)14-10-6-5-9-13(14)16(21)20-18-19-15(11-24-18)12-7-3-2-4-8-12/h2-11H,1H3,(H,19,20,21).
What are the key properties of methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate?
methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate has a molecular weight of 338.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate is sourced from PubChem (CID 58033027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).