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

C12H12N2O2S — CID 2764233

IUPACethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate
SMILESCCOC(=O)c1ccccc1-c1csc(N)n1
InChIInChI=1S/C12H12N2O2S/c1-2-16-11(15)9-6-4-3-5-8(9)10-7-17-12(13)14-10/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyCYDLESGWRDBHSX-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.57
Rot. Bonds3

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

ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate (PubChem CID 2764233) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate
PubChem CID2764233
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Nameethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate
SMILESCCOC(=O)c1ccccc1-c1csc(N)n1
InChIInChI=1S/C12H12N2O2S/c1-2-16-11(15)9-6-4-3-5-8(9)10-7-17-12(13)14-10/h3-7H,2H2,1H3,(H2,13,14)
InChIKeyCYDLESGWRDBHSX-UHFFFAOYSA-N
XLogP2.57
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-amino-4-phenyl-1,3-thiazole-5-carboxylate
CID 73239
4-(2-Amino-1,3-thiazol-4-yl)benzoic acid
CID 613179
3-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino}-2-benzofuran-1(3H)-one
CID 6710578
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3H-2-benzofuran-1-one
CID 3693619
N-(4-Methyl-thiazol-2-yl)-phthalamic acid
CID 653107
Ethyl 2-(2-{[(4-chlorophenyl)sulfonyl]amino}-1,3-thiazol-4-yl)benzenecarboxylate
CID 1477065
N-(4-Phenyl-thiazol-2-yl)-phthalamic acid
CID 739384
Methyl 4-(2-aminothiazol-4-yl)benzoate
CID 2060012
{2-[3-(2-Methyl-benzoyl)-thioureido]-thiazol-4-yl}-acetic acid ethyl ester
CID 1072709
methyl 4-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzoate
CID 5331231
methyl 4-[(E)-{2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoate
CID 5339403
Methyl 2-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 58033027

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate?
The IUPAC name of ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate (CID 2764233) is ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate.
What is the SMILES notation for ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate?
The canonical SMILES for ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate is CCOC(=O)c1ccccc1-c1csc(N)n1.
What is the InChIKey of ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate?
The InChIKey is CYDLESGWRDBHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-16-11(15)9-6-4-3-5-8(9)10-7-17-12(13)14-10/h3-7H,2H2,1H3,(H2,13,14).
What are the key properties of ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate?
ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate has a molecular weight of 248.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-1,3-thiazol-4-yl)benzoate is sourced from PubChem (CID 2764233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).