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

C21H17N3O4S — CID 2329010

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)n1
InChIInChI=1S/C21H17N3O4S/c1-28-17-5-3-2-4-15(17)16-12-29-21(22-16)23-20(27)13-6-8-14(9-7-13)24-18(25)10-11-19(24)26/h2-9,12H,10-11H2,1H3,(H,22,23,27)
InChIKeyKJZDMNGHHAUJTD-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.72
Rot. Bonds5

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

4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 2329010) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID2329010
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)n1
InChIInChI=1S/C21H17N3O4S/c1-28-17-5-3-2-4-15(17)16-12-29-21(22-16)23-20(27)13-6-8-14(9-7-13)24-18(25)10-11-19(24)26/h2-9,12H,10-11H2,1H3,(H,22,23,27)
InChIKeyKJZDMNGHHAUJTD-UHFFFAOYSA-N
XLogP3.72
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.72
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

4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712
4-{[4-(2-Methoxyphenyl)-1,3-thiazol-2-yl]amino}benzoic acid
CID 24776309
2,6-Dimethoxy-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 954627
N-{2-[(2-methoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}benzamide hydrobromide
CID 1117191
2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 2467547
N-(4-{2-[5-(3-Methoxy-phenyl)-thiazolo[2,3-c][1,2,4]triazol-3-ylsulfanyl]-acetyl}-phenyl)-acetamide
CID 651911
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-2-fluoro-benzamide
CID 1160658
4-[[4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-yl](propionyl)amino]benzoic acid
CID 1313486
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 4143751
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4158470
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-(4-ethoxyphenyl)thiazol-2-yl)benzamide
CID 4624396
2-[3-[2-(3-Methoxyanilino)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione;hydrobromide
CID 11957132

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 2329010) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccccc1-c1csc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)n1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is KJZDMNGHHAUJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-28-17-5-3-2-4-15(17)16-12-29-21(22-16)23-20(27)13-6-8-14(9-7-13)24-18(25)10-11-19(24)26/h2-9,12H,10-11H2,1H3,(H,22,23,27).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 407.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2329010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).