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

C20H25N5O4S — CID 55379424

IUPACN-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C20H25N5O4S/c1-13(21-18(27)15-6-4-3-5-7-15)12-16(26)23-24-19(28)17-14(2)22-20(30-17)25-8-10-29-11-9-25/h3-7,13H,8-12H2,1-2H3,(H,21,27)(H,23,26)(H,24,28)
InChIKeyJWSDALLEUNWQSV-UHFFFAOYSA-N
MW431.52 g/mol
LogP1.26
Rot. Bonds6

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

N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide (PubChem CID 55379424) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
PubChem CID55379424
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC NameN-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C20H25N5O4S/c1-13(21-18(27)15-6-4-3-5-7-15)12-16(26)23-24-19(28)17-14(2)22-20(30-17)25-8-10-29-11-9-25/h3-7,13H,8-12H2,1-2H3,(H,21,27)(H,23,26)(H,24,28)
InChIKeyJWSDALLEUNWQSV-UHFFFAOYSA-N
XLogP1.26
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 51.26
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-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798
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-phenylbutanoyl)-1,3-thiazole-5-carbohydrazide
CID 46532195
4-methyl-N'-[2-(4-methylphenyl)acetyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 17446856
N'-[3-(2-bromophenyl)propanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 55821814
4-methyl-2-morpholin-4-yl-N'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
N'-[2-(4-chlorophenyl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25445255
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
1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 8768518
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25446089
1-heptan-2-yl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]urea
CID 46486050
N'-[3-(3-methoxyphenyl)propanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 24543209

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide (CID 55379424) is N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CC(C)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide?
The InChIKey is JWSDALLEUNWQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-13(21-18(27)15-6-4-3-5-7-15)12-16(26)23-24-19(28)17-14(2)22-20(30-17)25-8-10-29-11-9-25/h3-7,13H,8-12H2,1-2H3,(H,21,27)(H,23,26)(H,24,28).
What are the key properties of N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide?
N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide has a molecular weight of 431.52 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 55379424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).