4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide

C21H28N4O4S — CID 55821686

IUPAC4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C21H28N4O4S/c1-13(2)16-6-5-7-17(12-16)29-15(4)19(26)23-24-20(27)18-14(3)22-21(30-18)25-8-10-28-11-9-25/h5-7,12-13,15H,8-11H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyJVNDDSKRNHTWFV-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.64
Rot. Bonds6

About 4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide

4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 55821686) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide
PubChem CID55821686
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(C)Oc1cccc(C(C)C)c1
InChIInChI=1S/C21H28N4O4S/c1-13(2)16-6-5-7-17(12-16)29-15(4)19(26)23-24-20(27)18-14(3)22-21(30-18)25-8-10-28-11-9-25/h5-7,12-13,15H,8-11H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyJVNDDSKRNHTWFV-UHFFFAOYSA-N
XLogP2.64
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 43004097
4-methyl-2-morpholin-4-yl-N'-(2-phenylbutanoyl)-1,3-thiazole-5-carbohydrazide
CID 46532195
4-methyl-2-morpholin-4-yl-N'-(2-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798
N'-[3-(3-methoxyphenyl)propanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 24543209
4-methyl-N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25444482
2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide
CID 46798212
4-methyl-2-morpholin-4-yl-N'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
ethyl N-[3-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxobutan-2-yl]carbamate
CID 55644563
2-morpholin-4-yl-N'-(2-phenoxypropanoyl)-1,3-thiazole-4-carbohydrazide
CID 18120608
2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carbohydrazide
CID 46417562
2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
N'-(3-chloro-4-methyl-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 30689371

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide (CID 55821686) is 4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)C(C)Oc1cccc(C(C)C)c1.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is JVNDDSKRNHTWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-13(2)16-6-5-7-17(12-16)29-15(4)19(26)23-24-20(27)18-14(3)22-21(30-18)25-8-10-28-11-9-25/h5-7,12-13,15H,8-11H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide?
4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 432.55 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 55821686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).