ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate

C15H16N2O3S — CID 54138651

IUPACethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate
SMILESCCOC(=O)c1ccccc1C(=O)Nc1ncc(CC)s1
InChIInChI=1S/C15H16N2O3S/c1-3-10-9-16-15(21-10)17-13(18)11-7-5-6-8-12(11)14(19)20-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyVLSRXBCFGHTXIV-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.13
Rot. Bonds5

About ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate

ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate (PubChem CID 54138651) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate
PubChem CID54138651
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nameethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate
SMILESCCOC(=O)c1ccccc1C(=O)Nc1ncc(CC)s1
InChIInChI=1S/C15H16N2O3S/c1-3-10-9-16-15(21-10)17-13(18)11-7-5-6-8-12(11)14(19)20-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyVLSRXBCFGHTXIV-UHFFFAOYSA-N
XLogP3.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 57394846
2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzenesulfonic acid
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2-cyano-N-(5-ethyl-1,3-thiazol-2-yl)benzamide
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(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
methyl 2-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
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N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 167969899
N-(5-ethyl-1,3-thiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 119755328
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide
CID 4651810
2-amino-N-(5-ethyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 119307130
N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 166218577
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3497765
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CID 4254438

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The IUPAC name of ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate (CID 54138651) is ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate.
What is the SMILES notation for ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The canonical SMILES for ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate is CCOC(=O)c1ccccc1C(=O)Nc1ncc(CC)s1.
What is the InChIKey of ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate?
The InChIKey is VLSRXBCFGHTXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-10-9-16-15(21-10)17-13(18)11-7-5-6-8-12(11)14(19)20-4-2/h5-9H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate?
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate has a molecular weight of 304.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate is sourced from PubChem (CID 54138651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).