4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide

C22H19N5O3S — CID 34391804

IUPAC4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C22H19N5O3S/c1-14-19(31-21(24-14)15-7-3-2-4-8-15)20(29)26-25-18(28)11-12-27-13-23-17-10-6-5-9-16(17)22(27)30/h2-10,13H,11-12H2,1H3,(H,25,28)(H,26,29)
InChIKeyOWFSSAXVEHDPJW-UHFFFAOYSA-N
MW433.49 g/mol
LogP2.68
Rot. Bonds5

About 4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide

4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 34391804) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID34391804
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC Name4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C22H19N5O3S/c1-14-19(31-21(24-14)15-7-3-2-4-8-15)20(29)26-25-18(28)11-12-27-13-23-17-10-6-5-9-16(17)22(27)30/h2-10,13H,11-12H2,1H3,(H,25,28)(H,26,29)
InChIKeyOWFSSAXVEHDPJW-UHFFFAOYSA-N
XLogP2.68
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
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-methylphenyl)-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-1H-pyrazole-5-carbohydrazide
CID 71891472
4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439380
N'-(4,6-dimethylpyrimidin-2-yl)-3-(4-oxoquinazolin-3-yl)propanehydrazide
CID 26122035
4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
CID 9418645
N'-[3-(2-fluorophenyl)propanoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 40724602
N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 24540532
4-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 90515615
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-(6-methyl-7-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 134699936
4-methyl-N'-(1-methylindole-3-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160995
tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate
CID 9161034
3-(4-hydroxyphenyl)-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]propanoic acid
CID 4835709

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 34391804) is 4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of 4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is OWFSSAXVEHDPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-14-19(31-21(24-14)15-7-3-2-4-8-15)20(29)26-25-18(28)11-12-27-13-23-17-10-6-5-9-16(17)22(27)30/h2-10,13H,11-12H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide?
4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 433.49 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 34391804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).