ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate

C19H15FN2O3S — CID 1477063

IUPACethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate
SMILESCCOC(=O)c1ccccc1-c1csc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C19H15FN2O3S/c1-2-25-18(24)15-6-4-3-5-14(15)16-11-26-19(21-16)22-17(23)12-7-9-13(20)10-8-12/h3-11H,2H2,1H3,(H,21,22,23)
InChIKeyPYEJLVZDRJIPTP-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.38
Rot. Bonds5

About ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate

ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate (PubChem CID 1477063) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate
PubChem CID1477063
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Nameethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate
SMILESCCOC(=O)c1ccccc1-c1csc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C19H15FN2O3S/c1-2-25-18(24)15-6-4-3-5-14(15)16-11-26-19(21-16)22-17(23)12-7-9-13(20)10-8-12/h3-11H,2H2,1H3,(H,21,22,23)
InChIKeyPYEJLVZDRJIPTP-UHFFFAOYSA-N
XLogP4.38
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
methyl 4-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 60551769
ethyl 2-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]benzoate
CID 1477046
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
ethyl 2,4-dimethyl-5-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 39015574
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113051053
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 4671588

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate?
The IUPAC name of ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate (CID 1477063) is ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate.
What is the SMILES notation for ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate?
The canonical SMILES for ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate is CCOC(=O)c1ccccc1-c1csc(NC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate?
The InChIKey is PYEJLVZDRJIPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c1-2-25-18(24)15-6-4-3-5-14(15)16-11-26-19(21-16)22-17(23)12-7-9-13(20)10-8-12/h3-11H,2H2,1H3,(H,21,22,23).
What are the key properties of ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate?
ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate has a molecular weight of 370.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]benzoate is sourced from PubChem (CID 1477063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).