ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

C22H19N3O4S — CID 6615144

IUPACethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc1C
InChIInChI=1S/C22H19N3O4S/c1-3-29-21(28)20-13(2)23-22(30-20)24-18(26)12-25-16-10-6-4-8-14(16)19(27)15-9-5-7-11-17(15)25/h4-11H,3,12H2,1-2H3,(H,23,24,26)
InChIKeyVGGGHRAXHZNDKT-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.74
Rot. Bonds5

About ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 6615144) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID6615144
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Nameethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc1C
InChIInChI=1S/C22H19N3O4S/c1-3-29-21(28)20-13(2)23-22(30-20)24-18(26)12-25-16-10-6-4-8-14(16)19(27)15-9-5-7-11-17(15)25/h4-11H,3,12H2,1-2H3,(H,23,24,26)
InChIKeyVGGGHRAXHZNDKT-UHFFFAOYSA-N
XLogP3.74
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(8-fluoro-4-oxoquinolin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 43832673
ethyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266806
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(9-oxoacridin-10-yl)acetamide
CID 30039583
2-methylpropyl 4-methyl-2-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-1,3-thiazole-5-carboxylate
CID 39764131
ethyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4791044
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 4-methyl-2-[[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 7662536
ethyl 2-[[2-(4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 39763580
ethyl 4-methyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]-1,3-thiazole-5-carboxylate
CID 39773535
prop-2-enyl 2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 108794819
ethyl 4-methyl-2-(phenylmethoxycarbonylamino)-1,3-thiazole-5-carboxylate
CID 53419430

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 6615144) is ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is VGGGHRAXHZNDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-3-29-21(28)20-13(2)23-22(30-20)24-18(26)12-25-16-10-6-4-8-14(16)19(27)15-9-5-7-11-17(15)25/h4-11H,3,12H2,1-2H3,(H,23,24,26).
What are the key properties of ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 421.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 6615144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).