N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C19H24N4O3S — CID 41452787

IUPACN'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C19H24N4O3S/c1-13-3-4-15(14(2)11-13)5-6-17(24)21-22-18(25)16-12-27-19(20-16)23-7-9-26-10-8-23/h3-4,11-12H,5-10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyCOFSGJZIDHTCEG-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.99
Rot. Bonds5

About N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 41452787) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID41452787
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1ccc(CCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C19H24N4O3S/c1-13-3-4-15(14(2)11-13)5-6-17(24)21-22-18(25)16-12-27-19(20-16)23-7-9-26-10-8-23/h3-4,11-12H,5-10H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyCOFSGJZIDHTCEG-UHFFFAOYSA-N
XLogP1.99
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
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
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
N'-[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553661
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide
CID 18120612
N'-[2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 55788860
4-tert-butyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 31718296
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

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 41452787) is N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is Cc1ccc(CCC(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(C)c1.
What is the InChIKey of N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is COFSGJZIDHTCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-3-4-15(14(2)11-13)5-6-17(24)21-22-18(25)16-12-27-19(20-16)23-7-9-26-10-8-23/h3-4,11-12H,5-10H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 388.49 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 41452787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).