N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C22H25ClN6O3S — CID 55788860

IUPACN'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(-n2nc(C)c(CC(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2C)cc1Cl
InChIInChI=1S/C22H25ClN6O3S/c1-13-4-5-16(10-18(13)23)29-15(3)17(14(2)27-29)11-20(30)25-26-21(31)19-12-33-22(24-19)28-6-8-32-9-7-28/h4-5,10,12H,6-9,11H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyYCYQXSLOSLWQQQ-UHFFFAOYSA-N
MW489.00 g/mol
LogP2.75
Rot. Bonds5

About N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 55788860) has the molecular formula C22H25ClN6O3S and a molecular weight of 489.00 g/mol. Its IUPAC name is N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID55788860
Molecular FormulaC22H25ClN6O3S
Molecular Weight489.00 g/mol
Exact Mass488.14
IUPAC NameN'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(-n2nc(C)c(CC(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2C)cc1Cl
InChIInChI=1S/C22H25ClN6O3S/c1-13-4-5-16(10-18(13)23)29-15(3)17(14(2)27-29)11-20(30)25-26-21(31)19-12-33-22(24-19)28-6-8-32-9-7-28/h4-5,10,12H,6-9,11H2,1-3H3,(H,25,30)(H,26,31)
InChIKeyYCYQXSLOSLWQQQ-UHFFFAOYSA-N
XLogP2.75
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 52.75
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

3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553651
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[[(2R)-1,4-dioxan-2-yl]methyl]acetamide
CID 94563213
N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 41452787
2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 55346400
N'-(3-fluoro-4-methylbenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 31718405
2,4-dichloro-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553645
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-(4-fluorophenoxy)propanehydrazide
CID 55788841
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
2-methyl-5-[[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]sulfamoyl]benzoic acid
CID 55353253
2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 55793924

Frequently Asked Questions

What is the IUPAC name of N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 55788860) is N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is Cc1ccc(-n2nc(C)c(CC(=O)NNC(=O)c3csc(N4CCOCC4)n3)c2C)cc1Cl.
What is the InChIKey of N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is YCYQXSLOSLWQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O3S/c1-13-4-5-16(10-18(13)23)29-15(3)17(14(2)27-29)11-20(30)25-26-21(31)19-12-33-22(24-19)28-6-8-32-9-7-28/h4-5,10,12H,6-9,11H2,1-3H3,(H,25,30)(H,26,31).
What are the key properties of N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 489.00 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 55788860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).