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

C18H19N3O3S — CID 47047630

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCc1nc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)sc1C
InChIInChI=1S/C18H19N3O3S/c1-3-14-11(2)25-18(19-14)20-17(24)13-6-4-12(5-7-13)10-21-15(22)8-9-16(21)23/h4-7H,3,8-10H2,1-2H3,(H,19,20,24)
InChIKeyLHSRTWFPDZXIDI-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.92
Rot. Bonds5

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

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 47047630) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID47047630
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCCc1nc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)sc1C
InChIInChI=1S/C18H19N3O3S/c1-3-14-11(2)25-18(19-14)20-17(24)13-6-4-12(5-7-13)10-21-15(22)8-9-16(21)23/h4-7H,3,8-10H2,1-2H3,(H,19,20,24)
InChIKeyLHSRTWFPDZXIDI-UHFFFAOYSA-N
XLogP2.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 33040140
4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61477386
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991649
2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60786100
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-3-methylbenzamide
CID 103951800
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61474388
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 47057944
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61471873
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-pyridin-3-ylbenzamide
CID 51197428
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(4-ethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110383047
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47444190
2-(4-carbamothioylphenyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 63591400

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide (CID 47047630) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide is CCc1nc(NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)sc1C.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is LHSRTWFPDZXIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-14-11(2)25-18(19-14)20-17(24)13-6-4-12(5-7-13)10-21-15(22)8-9-16(21)23/h4-7H,3,8-10H2,1-2H3,(H,19,20,24).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 357.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 47047630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).