N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C16H16N4O5S — CID 18120599

IUPACN'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(N2CCOCC2)n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H16N4O5S/c21-14(10-1-2-12-13(7-10)25-9-24-12)18-19-15(22)11-8-26-16(17-11)20-3-5-23-6-4-20/h1-2,7-8H,3-6,9H2,(H,18,21)(H,19,22)
InChIKeyYZBRLUJQUSISCE-UHFFFAOYSA-N
MW376.39 g/mol
LogP0.78
Rot. Bonds3

About N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 18120599) has the molecular formula C16H16N4O5S and a molecular weight of 376.39 g/mol. Its IUPAC name is N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID18120599
Molecular FormulaC16H16N4O5S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC NameN'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1csc(N2CCOCC2)n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H16N4O5S/c21-14(10-1-2-12-13(7-10)25-9-24-12)18-19-15(22)11-8-26-16(17-11)20-3-5-23-6-4-20/h1-2,7-8H,3-6,9H2,(H,18,21)(H,19,22)
InChIKeyYZBRLUJQUSISCE-UHFFFAOYSA-N
XLogP0.78
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluoro-4-methylbenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 31718405
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
N'-(3-bromo-5-fluorobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 46471739
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553651
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
2-morpholin-4-yl-N'-(1-phenylcyclopropanecarbonyl)-1,3-thiazole-4-carbohydrazide
CID 32810379
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18155737

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 18120599) is N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1csc(N2CCOCC2)n1)c1ccc2c(c1)OCO2.
What is the InChIKey of N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is YZBRLUJQUSISCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5S/c21-14(10-1-2-12-13(7-10)25-9-24-12)18-19-15(22)11-8-26-16(17-11)20-3-5-23-6-4-20/h1-2,7-8H,3-6,9H2,(H,18,21)(H,19,22).
What are the key properties of N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 376.39 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 18120599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).