N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide

C24H23N3O4S — CID 108761076

IUPACN-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)sc2C)cc1C
InChIInChI=1S/C24H23N3O4S/c1-12(2)27-22(29)17-8-6-16(11-18(17)23(27)30)21(28)26-24-25-20(14(4)32-24)15-7-9-19(31-5)13(3)10-15/h6-12H,1-5H3,(H,25,26,28)
InChIKeyWEOYYFCFRHXVON-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.69
Rot. Bonds5

About N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide

N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide (PubChem CID 108761076) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
PubChem CID108761076
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC NameN-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)sc2C)cc1C
InChIInChI=1S/C24H23N3O4S/c1-12(2)27-22(29)17-8-6-16(11-18(17)23(27)30)21(28)26-24-25-20(14(4)32-24)15-7-9-19(31-5)13(3)10-15/h6-12H,1-5H3,(H,25,26,28)
InChIKeyWEOYYFCFRHXVON-UHFFFAOYSA-N
XLogP4.69
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108761036
ethyl [4-[[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenyl] carbonate
CID 108761038
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108738200
2,2,2-trichloro-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 108738227
3-bromo-4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1136044
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 18224890
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49164169
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108738299
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 108738339
2-(4-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 108761142
4-(4-chlorophenyl)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 108738324
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 2810041

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide (CID 108761076) is N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide.
What is the SMILES notation for N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The canonical SMILES for N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide is COc1ccc(-c2nc(NC(=O)c3ccc4c(c3)C(=O)N(C(C)C)C4=O)sc2C)cc1C.
What is the InChIKey of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The InChIKey is WEOYYFCFRHXVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-12(2)27-22(29)17-8-6-16(11-18(17)23(27)30)21(28)26-24-25-20(14(4)32-24)15-7-9-19(31-5)13(3)10-15/h6-12H,1-5H3,(H,25,26,28).
What are the key properties of N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide is sourced from PubChem (CID 108761076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).