ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate

C16H15N5O4S — CID 51261916

IUPACethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CCn2nnc3ccccc3c2=O)n1
InChIInChI=1S/C16H15N5O4S/c1-2-25-15(24)12-9-26-16(17-12)18-13(22)7-8-21-14(23)10-5-3-4-6-11(10)19-20-21/h3-6,9H,2,7-8H2,1H3,(H,17,18,22)
InChIKeyHACBASGNFBWFLI-UHFFFAOYSA-N
MW373.39 g/mol
LogP1.45
Rot. Bonds6

About ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate

ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate (PubChem CID 51261916) has the molecular formula C16H15N5O4S and a molecular weight of 373.39 g/mol. Its IUPAC name is ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate
PubChem CID51261916
Molecular FormulaC16H15N5O4S
Molecular Weight373.39 g/mol
Exact Mass373.08
IUPAC Nameethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CCn2nnc3ccccc3c2=O)n1
InChIInChI=1S/C16H15N5O4S/c1-2-25-15(24)12-9-26-16(17-12)18-13(22)7-8-21-14(23)10-5-3-4-6-11(10)19-20-21/h3-6,9H,2,7-8H2,1H3,(H,17,18,22)
InChIKeyHACBASGNFBWFLI-UHFFFAOYSA-N
XLogP1.45
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 51146279
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34807259
ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate
CID 4901992
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 30184390
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 34111682
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34809314
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 55447598
N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 39428140
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 34807050
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24509256
methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 38985459
N-(3,5-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate (CID 51261916) is ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)CCn2nnc3ccccc3c2=O)n1.
What is the InChIKey of ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is HACBASGNFBWFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4S/c1-2-25-15(24)12-9-26-16(17-12)18-13(22)7-8-21-14(23)10-5-3-4-6-11(10)19-20-21/h3-6,9H,2,7-8H2,1H3,(H,17,18,22).
What are the key properties of ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate?
ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 373.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 51261916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).