methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

C15H13N5O4S — CID 38985459

IUPACmethyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)Cn2nnc3ccccc3c2=O)n1
InChIInChI=1S/C15H13N5O4S/c1-24-13(22)6-9-8-25-15(16-9)17-12(21)7-20-14(23)10-4-2-3-5-11(10)18-19-20/h2-5,8H,6-7H2,1H3,(H,16,17,21)
InChIKeyDJCOSLNYXBVLCT-UHFFFAOYSA-N
MW359.37 g/mol
LogP0.60
Rot. Bonds5

About methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate

methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 38985459) has the molecular formula C15H13N5O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID38985459
Molecular FormulaC15H13N5O4S
Molecular Weight359.37 g/mol
Exact Mass359.07
IUPAC Namemethyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NC(=O)Cn2nnc3ccccc3c2=O)n1
InChIInChI=1S/C15H13N5O4S/c1-24-13(22)6-9-8-25-15(16-9)17-12(21)7-20-14(23)10-4-2-3-5-11(10)18-19-20/h2-5,8H,6-7H2,1H3,(H,16,17,21)
InChIKeyDJCOSLNYXBVLCT-UHFFFAOYSA-N
XLogP0.60
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24509256
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5300248
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 17017854
methyl 2-[2-[[2-(3-bromo-2-methylindol-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 52687410
ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51261916
methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate
CID 2714539
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 30184390
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 24647730
methyl 2-[2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 39042022
methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 35163203

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 38985459) is methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NC(=O)Cn2nnc3ccccc3c2=O)n1.
What is the InChIKey of methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is DJCOSLNYXBVLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S/c1-24-13(22)6-9-8-25-15(16-9)17-12(21)7-20-14(23)10-4-2-3-5-11(10)18-19-20/h2-5,8H,6-7H2,1H3,(H,16,17,21).
What are the key properties of methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 359.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 38985459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).