(2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C30H24N4O5S — CID 11836977

IUPAC(2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C4\C(=O)Nc5ccccc54)c(=O)n32)c(OC)c1
InChIInChI=1S/C30H24N4O5S/c1-16-23(27(35)32-17-9-5-4-6-10-17)25(20-14-13-18(38-2)15-22(20)39-3)34-29(37)26(40-30(34)31-16)24-19-11-7-8-12-21(19)33-28(24)36/h4-15,25H,1-3H3,(H,32,35)(H,33,36)/b26-24-
InChIKeyXKGCASCABXIEAL-LCUIJRPUSA-N
MW552.61 g/mol
LogP3.21
Rot. Bonds5

About (2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 11836977) has the molecular formula C30H24N4O5S and a molecular weight of 552.61 g/mol. Its IUPAC name is (2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID11836977
Molecular FormulaC30H24N4O5S
Molecular Weight552.61 g/mol
Exact Mass552.15
IUPAC Name(2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C4\C(=O)Nc5ccccc54)c(=O)n32)c(OC)c1
InChIInChI=1S/C30H24N4O5S/c1-16-23(27(35)32-17-9-5-4-6-10-17)25(20-14-13-18(38-2)15-22(20)39-3)34-29(37)26(40-30(34)31-16)24-19-11-7-8-12-21(19)33-28(24)36/h4-15,25H,1-3H3,(H,32,35)(H,33,36)/b26-24-
InChIKeyXKGCASCABXIEAL-LCUIJRPUSA-N
XLogP3.21
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.61
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide 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 (2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of (2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 11836977) is (2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for (2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C4\C(=O)Nc5ccccc54)c(=O)n32)c(OC)c1.
What is the InChIKey of (2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is XKGCASCABXIEAL-LCUIJRPUSA-N. The full InChI is InChI=1S/C30H24N4O5S/c1-16-23(27(35)32-17-9-5-4-6-10-17)25(20-14-13-18(38-2)15-22(20)39-3)34-29(37)26(40-30(34)31-16)24-19-11-7-8-12-21(19)33-28(24)36/h4-15,25H,1-3H3,(H,32,35)(H,33,36)/b26-24-.
What are the key properties of (2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
(2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 552.61 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-2-(2-oxo-1H-indol-3-ylidene)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 11836977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).