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

C18H18N4O4S — CID 27846150

IUPACethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)nc1C
InChIInChI=1S/C18H18N4O4S/c1-4-26-17(25)15-10(2)19-18(27-15)20-14(23)9-13-11-7-5-6-8-12(11)16(24)22(3)21-13/h5-8H,4,9H2,1-3H3,(H,19,20,23)
InChIKeyWRKVJWFVNRRING-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.06
Rot. Bonds5

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

ethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 27846150) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID27846150
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Nameethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)nc1C
InChIInChI=1S/C18H18N4O4S/c1-4-26-17(25)15-10(2)19-18(27-15)20-14(23)9-13-11-7-5-6-8-12(11)16(24)22(3)21-13/h5-8H,4,9H2,1-3H3,(H,19,20,23)
InChIKeyWRKVJWFVNRRING-UHFFFAOYSA-N
XLogP2.06
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 27846150) is ethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is WRKVJWFVNRRING-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-4-26-17(25)15-10(2)19-18(27-15)20-14(23)9-13-11-7-5-6-8-12(11)16(24)22(3)21-13/h5-8H,4,9H2,1-3H3,(H,19,20,23).
What are the key properties of ethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 386.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 27846150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).