2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

C18H21N5O4S — CID 55346400

IUPAC2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C18H21N5O4S/c1-12-4-2-3-5-13(12)16(25)19-10-15(24)21-22-17(26)14-11-28-18(20-14)23-6-8-27-9-7-23/h2-5,11H,6-10H2,1H3,(H,19,25)(H,21,24)(H,22,26)
InChIKeyPEVKNUXSYXRLMS-UHFFFAOYSA-N
MW403.46 g/mol
LogP0.48
Rot. Bonds5

About 2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 55346400) has the molecular formula C18H21N5O4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID55346400
Molecular FormulaC18H21N5O4S
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1ccccc1C(=O)NCC(=O)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C18H21N5O4S/c1-12-4-2-3-5-13(12)16(25)19-10-15(24)21-22-17(26)14-11-28-18(20-14)23-6-8-27-9-7-23/h2-5,11H,6-10H2,1H3,(H,19,25)(H,21,24)(H,22,26)
InChIKeyPEVKNUXSYXRLMS-UHFFFAOYSA-N
XLogP0.48
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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
4-tert-butyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 31718296
2,4-dichloro-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553645
N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 18120613
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24553655
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 41452787
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120604
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide
CID 55616625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (CID 55346400) is 2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is Cc1ccccc1C(=O)NCC(=O)NNC(=O)c1csc(N2CCOCC2)n1.
What is the InChIKey of 2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is PEVKNUXSYXRLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S/c1-12-4-2-3-5-13(12)16(25)19-10-15(24)21-22-17(26)14-11-28-18(20-14)23-6-8-27-9-7-23/h2-5,11H,6-10H2,1H3,(H,19,25)(H,21,24)(H,22,26).
What are the key properties of 2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 403.46 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 55346400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).