N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C21H23N5O4S2 — CID 46550494

IUPACN'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C21H23N5O4S2/c1-13-16(14(2)30-25-13)11-31-18-6-4-3-5-15(18)19(27)23-24-20(28)17-12-32-21(22-17)26-7-9-29-10-8-26/h3-6,12H,7-11H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyHOWSPEQCOCWZLX-UHFFFAOYSA-N
MW473.58 g/mol
LogP2.95
Rot. Bonds6

About N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 46550494) has the molecular formula C21H23N5O4S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID46550494
Molecular FormulaC21H23N5O4S2
Molecular Weight473.58 g/mol
Exact Mass473.12
IUPAC NameN'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCc1noc(C)c1CSc1ccccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C21H23N5O4S2/c1-13-16(14(2)30-25-13)11-31-18-6-4-3-5-15(18)19(27)23-24-20(28)17-12-32-21(22-17)26-7-9-29-10-8-26/h3-6,12H,7-11H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyHOWSPEQCOCWZLX-UHFFFAOYSA-N
XLogP2.95
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide
CID 55616625
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
(2R)-N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]oxolane-2-carbohydrazide
CID 39480889
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78814232
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 55331734
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120604
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562671
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-pentan-3-ylbenzamide
CID 78782472
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 35437433

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 46550494) is N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is Cc1noc(C)c1CSc1ccccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1.
What is the InChIKey of N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is HOWSPEQCOCWZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S2/c1-13-16(14(2)30-25-13)11-31-18-6-4-3-5-15(18)19(27)23-24-20(28)17-12-32-21(22-17)26-7-9-29-10-8-26/h3-6,12H,7-11H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 473.58 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 46550494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).