ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate

C20H18N2O3S — CID 110651262

IUPACethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1nc(C)sc1-c1ccccc1
InChIInChI=1S/C20H18N2O3S/c1-3-25-20(24)15-11-7-8-12-16(15)22-19(23)17-18(26-13(2)21-17)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyACQMZKWAQVSJSW-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.55
Rot. Bonds5

About ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate

ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate (PubChem CID 110651262) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
PubChem CID110651262
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Nameethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1nc(C)sc1-c1ccccc1
InChIInChI=1S/C20H18N2O3S/c1-3-25-20(24)15-11-7-8-12-16(15)22-19(23)17-18(26-13(2)21-17)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,22,23)
InChIKeyACQMZKWAQVSJSW-UHFFFAOYSA-N
XLogP4.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
CID 43854833
methyl 2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110861554
ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate
CID 46365119
N-(5-chloro-2-methylphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854702
ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
CID 110696258
ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate
CID 110692261
methyl 2-[(5-methyl-2-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110650599
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
N-[(2S)-1-aminopropan-2-yl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 68727128
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 2,5-diphenyl-1,3-thiazole-4-carboxylate
CID 11001366

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate (CID 110651262) is ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1nc(C)sc1-c1ccccc1.
What is the InChIKey of ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate?
The InChIKey is ACQMZKWAQVSJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-3-25-20(24)15-11-7-8-12-16(15)22-19(23)17-18(26-13(2)21-17)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,22,23).
What are the key properties of ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate?
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate has a molecular weight of 366.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 110651262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).