(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

C19H14N4O4S — CID 9135158

IUPAC(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(-c2nc(C(=O)OCn3nnc4ccccc4c3=O)cs2)cc1
InChIInChI=1S/C19H14N4O4S/c1-26-13-8-6-12(7-9-13)17-20-16(10-28-17)19(25)27-11-23-18(24)14-4-2-3-5-15(14)21-22-23/h2-10H,11H2,1H3
InChIKeyFKBILEDOHADTAB-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.74
Rot. Bonds5

About (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (PubChem CID 9135158) has the molecular formula C19H14N4O4S and a molecular weight of 394.41 g/mol. Its IUPAC name is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
PubChem CID9135158
Molecular FormulaC19H14N4O4S
Molecular Weight394.41 g/mol
Exact Mass394.07
IUPAC Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(-c2nc(C(=O)OCn3nnc4ccccc4c3=O)cs2)cc1
InChIInChI=1S/C19H14N4O4S/c1-26-13-8-6-12(7-9-13)17-20-16(10-28-17)19(25)27-11-23-18(24)14-4-2-3-5-15(14)21-22-23/h2-10H,11H2,1H3
InChIKeyFKBILEDOHADTAB-UHFFFAOYSA-N
XLogP2.74
TPSA96.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824778
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2367823
(2-bromophenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135775
(4-oxo-1,2,3-benzotriazin-3-yl)methyl propanoate
CID 4524672
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-propan-2-yloxybenzoate
CID 866910
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methylbenzoate
CID 694208
ethyl 2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51261916
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
(2-ethoxyphenyl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 9135787
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 1-hydroxynaphthalene-2-carboxylate
CID 2559101
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylbenzoate
CID 7554658
(4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium
CID 7911386

Frequently Asked Questions

What is the IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate (CID 9135158) is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is COc1ccc(-c2nc(C(=O)OCn3nnc4ccccc4c3=O)cs2)cc1.
What is the InChIKey of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
The InChIKey is FKBILEDOHADTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4S/c1-26-13-8-6-12(7-9-13)17-20-16(10-28-17)19(25)27-11-23-18(24)14-4-2-3-5-15(14)21-22-23/h2-10H,11H2,1H3.
What are the key properties of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate?
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate has a molecular weight of 394.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 9135158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).