N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

C20H23N5O5S — CID 3375893

IUPACN'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCOc1cccc(N2C(=O)CC(NNC(=O)c3sc(N4CCOCC4)nc3C)C2=O)c1
InChIInChI=1S/C20H23N5O5S/c1-12-17(31-20(21-12)24-6-8-30-9-7-24)18(27)23-22-15-11-16(26)25(19(15)28)13-4-3-5-14(10-13)29-2/h3-5,10,15,22H,6-9,11H2,1-2H3,(H,23,27)
InChIKeyRFHQTDARWOHVMU-UHFFFAOYSA-N
MW445.50 g/mol
LogP0.86
Rot. Bonds6

About N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 3375893) has the molecular formula C20H23N5O5S and a molecular weight of 445.50 g/mol. Its IUPAC name is N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID3375893
Molecular FormulaC20H23N5O5S
Molecular Weight445.50 g/mol
Exact Mass445.14
IUPAC NameN'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCOc1cccc(N2C(=O)CC(NNC(=O)c3sc(N4CCOCC4)nc3C)C2=O)c1
InChIInChI=1S/C20H23N5O5S/c1-12-17(31-20(21-12)24-6-8-30-9-7-24)18(27)23-22-15-11-16(26)25(19(15)28)13-4-3-5-14(10-13)29-2/h3-5,10,15,22H,6-9,11H2,1-2H3,(H,23,27)
InChIKeyRFHQTDARWOHVMU-UHFFFAOYSA-N
XLogP0.86
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(3-methoxyphenyl)propanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 24543209
2-methoxy-N'-[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]benzohydrazide
CID 7299451
4-methyl-2-morpholin-4-yl-N'-(2-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798
N'-[(3R)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 39977948
4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 43004097
N'-(4-methoxyphenyl)sulfonyl-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 26950907
4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide
CID 55821686
4-[[(3R)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid
CID 8891417
3-[3-[2-[5-[(4-methoxyphenoxy)methyl]furan-2-carbonyl]hydrazinyl]-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 5241889
(3R)-3-(4-methoxyanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 691645
4-methyl-N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25444482
4-methyl-2-morpholin-4-yl-N'-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 24553606

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 3375893) is N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is COc1cccc(N2C(=O)CC(NNC(=O)c3sc(N4CCOCC4)nc3C)C2=O)c1.
What is the InChIKey of N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is RFHQTDARWOHVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5S/c1-12-17(31-20(21-12)24-6-8-30-9-7-24)18(27)23-22-15-11-16(26)25(19(15)28)13-4-3-5-14(10-13)29-2/h3-5,10,15,22H,6-9,11H2,1-2H3,(H,23,27).
What are the key properties of N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 445.50 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 3375893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).