2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide

C23H31N5O4S — CID 46798212

IUPAC2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C
InChIInChI=1S/C23H31N5O4S/c1-14(2)13-18(25-20(29)17-8-6-5-7-15(17)3)21(30)26-27-22(31)19-16(4)24-23(33-19)28-9-11-32-12-10-28/h5-8,14,18H,9-13H2,1-4H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyNRQYVVUXYKIDBR-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.20
Rot. Bonds7

About 2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide

2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide (PubChem CID 46798212) has the molecular formula C23H31N5O4S and a molecular weight of 473.60 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide
PubChem CID46798212
Molecular FormulaC23H31N5O4S
Molecular Weight473.60 g/mol
Exact Mass473.21
IUPAC Name2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(CC(C)C)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C
InChIInChI=1S/C23H31N5O4S/c1-14(2)13-18(25-20(29)17-8-6-5-7-15(17)3)21(30)26-27-22(31)19-16(4)24-23(33-19)28-9-11-32-12-10-28/h5-8,14,18H,9-13H2,1-4H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyNRQYVVUXYKIDBR-UHFFFAOYSA-N
XLogP2.20
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.20
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

4-methyl-2-morpholin-4-yl-N'-(2-phenylbutanoyl)-1,3-thiazole-5-carbohydrazide
CID 46532195
N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 55379424
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
4-methyl-N'-[2-(3-methylphenoxy)propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 43004097
2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
4-methyl-2-morpholin-4-yl-N'-(2-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798
4-methyl-2-morpholin-4-yl-N'-[2-(3-propan-2-ylphenoxy)propanoyl]-1,3-thiazole-5-carbohydrazide
CID 55821686
N'-[3-(2-bromophenyl)propanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 55821814
N'-[2-(4-chlorophenyl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25445255
4-methyl-2-morpholin-4-yl-N'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 8768518
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 2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 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) is 2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide is Cc1ccccc1C(=O)NC(CC(C)C)C(=O)NNC(=O)c1sc(N2CCOCC2)nc1C.
What is the InChIKey of 2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide?
The InChIKey is NRQYVVUXYKIDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O4S/c1-14(2)13-18(25-20(29)17-8-6-5-7-15(17)3)21(30)26-27-22(31)19-16(4)24-23(33-19)28-9-11-32-12-10-28/h5-8,14,18H,9-13H2,1-4H3,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of 2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide?
2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide has a molecular weight of 473.60 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-1-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 46798212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).