N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C21H23N5O6S — CID 43004102

IUPACN'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1csc(N2CCOCC2)n1
InChIInChI=1S/C21H23N5O6S/c27-18-9-13(11-26(18)14-1-2-16-17(10-14)32-8-7-31-16)19(28)23-24-20(29)15-12-33-21(22-15)25-3-5-30-6-4-25/h1-2,10,12-13H,3-9,11H2,(H,23,28)(H,24,29)
InChIKeyATOMMSHEFNHLDI-UHFFFAOYSA-N
MW473.51 g/mol
LogP0.56
Rot. Bonds4

About N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 43004102) has the molecular formula C21H23N5O6S and a molecular weight of 473.51 g/mol. Its IUPAC name is N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID43004102
Molecular FormulaC21H23N5O6S
Molecular Weight473.51 g/mol
Exact Mass473.14
IUPAC NameN'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1csc(N2CCOCC2)n1
InChIInChI=1S/C21H23N5O6S/c27-18-9-13(11-26(18)14-1-2-16-17(10-14)32-8-7-31-16)19(28)23-24-20(29)15-12-33-21(22-15)25-3-5-30-6-4-25/h1-2,10,12-13H,3-9,11H2,(H,23,28)(H,24,29)
InChIKeyATOMMSHEFNHLDI-UHFFFAOYSA-N
XLogP0.56
TPSA122.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N'-(thiophene-2-carbonyl)pyrrolidine-3-carbohydrazide
CID 4790872
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8005863
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120599
N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]pyridine-3-carbohydrazide
CID 43002273
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2,5-dimethylfuran-3-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9405761
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N'-[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-3-methyl-4-oxophthalazine-1-carbohydrazide
CID 41101538
1-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-propan-2-ylthiourea
CID 7977911
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide
CID 154765760
1-[[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-ethylthiourea
CID 7977385
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42655484

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 43004102) is N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)c1csc(N2CCOCC2)n1.
What is the InChIKey of N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is ATOMMSHEFNHLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O6S/c27-18-9-13(11-26(18)14-1-2-16-17(10-14)32-8-7-31-16)19(28)23-24-20(29)15-12-33-21(22-15)25-3-5-30-6-4-25/h1-2,10,12-13H,3-9,11H2,(H,23,28)(H,24,29).
What are the key properties of N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 473.51 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 43004102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).