N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C18H21N5O7S — CID 46656918

IUPACN'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H21N5O7S/c1-3-30-15-8-11(13(23(26)27)9-14(15)28-2)16(24)20-21-17(25)12-10-31-18(19-12)22-4-6-29-7-5-22/h8-10H,3-7H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNKMBCYLMXBWVGX-UHFFFAOYSA-N
MW451.46 g/mol
LogP1.37
Rot. Bonds7

About N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 46656918) has the molecular formula C18H21N5O7S and a molecular weight of 451.46 g/mol. Its IUPAC name is N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID46656918
Molecular FormulaC18H21N5O7S
Molecular Weight451.46 g/mol
Exact Mass451.12
IUPAC NameN'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H21N5O7S/c1-3-30-15-8-11(13(23(26)27)9-14(15)28-2)16(24)20-21-17(25)12-10-31-18(19-12)22-4-6-29-7-5-22/h8-10H,3-7H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyNKMBCYLMXBWVGX-UHFFFAOYSA-N
XLogP1.37
TPSA145.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 18203866
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
4,5-dimethoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)-2-nitrobenzamide
CID 90544101
5-ethoxy-4-methoxy-2-nitro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46597743
4,5-dimethoxy-N-[2-(4-morpholin-4-ylphenyl)ethyl]-2-nitrobenzamide
CID 16889592
4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide
CID 31920662
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
N-cyclooctyl-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 35532421
N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36681735
5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 34049444
N-(4-methoxyphenyl)-4-methyl-3-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24980855

Frequently Asked Questions

What is the IUPAC name of N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 46656918) is N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is CCOc1cc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is NKMBCYLMXBWVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O7S/c1-3-30-15-8-11(13(23(26)27)9-14(15)28-2)16(24)20-21-17(25)12-10-31-18(19-12)22-4-6-29-7-5-22/h8-10H,3-7H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 451.46 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethoxy-4-methoxy-2-nitrobenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 46656918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).