ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate

C13H12N2O4S — CID 57394846

IUPACethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)c2ccccc2O)s1
InChIInChI=1S/C13H12N2O4S/c1-2-19-12(18)10-7-14-13(20-10)15-11(17)8-5-3-4-6-9(8)16/h3-7,16H,2H2,1H3,(H,14,15,17)
InChIKeyLLEWNIIHOFKNSL-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.28
Rot. Bonds4

About ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate

ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 57394846) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID57394846
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Nameethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(=O)c2ccccc2O)s1
InChIInChI=1S/C13H12N2O4S/c1-2-19-12(18)10-7-14-13(20-10)15-11(17)8-5-3-4-6-9(8)16/h3-7,16H,2H2,1H3,(H,14,15,17)
InChIKeyLLEWNIIHOFKNSL-UHFFFAOYSA-N
XLogP2.28
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 54138651
ethyl 2-[(2-chloroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 83306355
ethyl 2-[(3,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 155176323
ethyl 2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxylate
CID 143301188
ethyl 2-[[3-(2-cyanophenoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 59735921
ethyl 4-[(2-hydroxybenzoyl)amino]benzoate
CID 5274015
methyl 2-[(2,3-dichlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18101566
chlorobenzene;ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 20535196
ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
CID 50908054
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 31769618
ethyl 2-[(6-anilinopyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylate
CID 141349333
methyl 2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 18103755

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate (CID 57394846) is ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(NC(=O)c2ccccc2O)s1.
What is the InChIKey of ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is LLEWNIIHOFKNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-2-19-12(18)10-7-14-13(20-10)15-11(17)8-5-3-4-6-9(8)16/h3-7,16H,2H2,1H3,(H,14,15,17).
What are the key properties of ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 292.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydroxybenzoyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 57394846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).