N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide

C22H19N3O5S — CID 4581402

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)c1
InChIInChI=1S/C22H19N3O5S/c1-29-15-7-8-18(30-2)16(11-15)17-12-31-22(23-17)24-21(28)13-3-5-14(6-4-13)25-19(26)9-10-20(25)27/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,28)
InChIKeyONGJBHVCRAGUJN-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.73
Rot. Bonds6

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 4581402) has the molecular formula C22H19N3O5S and a molecular weight of 437.48 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID4581402
Molecular FormulaC22H19N3O5S
Molecular Weight437.48 g/mol
Exact Mass437.10
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)c1
InChIInChI=1S/C22H19N3O5S/c1-29-15-7-8-18(30-2)16(11-15)17-12-31-22(23-17)24-21(28)13-3-5-14(6-4-13)25-19(26)9-10-20(25)27/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,28)
InChIKeyONGJBHVCRAGUJN-UHFFFAOYSA-N
XLogP3.73
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 39092880
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methoxypyridine-3-carboxamide
CID 17416997
1-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2,5-dione
CID 43817550
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 4188572
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide
CID 16804295
1-(3-chloro-4-methylphenyl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 16594920
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3657057
methyl 6-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 30748240
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 43000681

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 4581402) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide is COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is ONGJBHVCRAGUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O5S/c1-29-15-7-8-18(30-2)16(11-15)17-12-31-22(23-17)24-21(28)13-3-5-14(6-4-13)25-19(26)9-10-20(25)27/h3-8,11-12H,9-10H2,1-2H3,(H,23,24,28).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 437.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 4581402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).