ethyl 5-benzamido-1,3-thiazole-4-carboxylate

C13H12N2O3S — CID 102425607

IUPACethyl 5-benzamido-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NC(=O)c1ccccc1
InChIInChI=1S/C13H12N2O3S/c1-2-18-13(17)10-12(19-8-14-10)15-11(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16)
InChIKeyVLGYADOSCUPHIO-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.57
Rot. Bonds4

About ethyl 5-benzamido-1,3-thiazole-4-carboxylate

ethyl 5-benzamido-1,3-thiazole-4-carboxylate (PubChem CID 102425607) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is ethyl 5-benzamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzamido-1,3-thiazole-4-carboxylate
PubChem CID102425607
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Nameethyl 5-benzamido-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NC(=O)c1ccccc1
InChIInChI=1S/C13H12N2O3S/c1-2-18-13(17)10-12(19-8-14-10)15-11(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16)
InChIKeyVLGYADOSCUPHIO-UHFFFAOYSA-N
XLogP2.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzamido-1,3-thiazole-4-carboxylic acid
CID 69246207
ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate
CID 129370103
diethyl 5-benzamido-3-methylthiophene-2,4-dicarboxylate
CID 979455
ethyl 5-benzamido-4-oxo-3-phenylthieno[3,4-d]pyridazine-1-carboxylate
CID 3639936
ethyl 5-(3,3-dimethylbutan-2-ylamino)-1,3-thiazole-4-carboxylate
CID 113458065
N-(4-propan-2-yl-1,3-thiazol-5-yl)benzamide
CID 23548812
ethyl 5-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate
CID 103465035
ethyl 2-benzamido-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 2218990
ethyl 5-benzamido-2-(pent-1-en-3-ylideneamino)-1,3-thiazole-4-carboxylate
CID 91268915
diethyl 3-benzamido-6-methylbenzene-1,2-dicarboxylate
CID 86070957
ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate
CID 154708842
ethyl 5-benzamido-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
CID 4289387

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzamido-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-benzamido-1,3-thiazole-4-carboxylate (CID 102425607) is ethyl 5-benzamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-benzamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-benzamido-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1NC(=O)c1ccccc1.
What is the InChIKey of ethyl 5-benzamido-1,3-thiazole-4-carboxylate?
The InChIKey is VLGYADOSCUPHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-2-18-13(17)10-12(19-8-14-10)15-11(16)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 5-benzamido-1,3-thiazole-4-carboxylate?
ethyl 5-benzamido-1,3-thiazole-4-carboxylate has a molecular weight of 276.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 102425607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).