2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide

C25H23N3O3S — CID 55650629

IUPAC2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)C(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C25H23N3O3S/c1-16-23(32-22(26-16)14-18-8-4-3-5-9-18)25(30)28-27-24(29)17(2)31-21-13-12-19-10-6-7-11-20(19)15-21/h3-13,15,17H,14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyLRPLSFFCLPAWLS-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.42
Rot. Bonds6

About 2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide

2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 55650629) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide
PubChem CID55650629
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)C(C)Oc1ccc2ccccc2c1
InChIInChI=1S/C25H23N3O3S/c1-16-23(32-22(26-16)14-18-8-4-3-5-9-18)25(30)28-27-24(29)17(2)31-21-13-12-19-10-6-7-11-20(19)15-21/h3-13,15,17H,14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyLRPLSFFCLPAWLS-UHFFFAOYSA-N
XLogP4.42
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]-4-methyl-1,3-thiazole-5-carbohydrazide
CID 46429594
N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide
CID 46429583
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
N'-[2-(4-ethoxyphenoxy)propanoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 43017306
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119361483
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide (CID 55650629) is 2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide is Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)C(C)Oc1ccc2ccccc2c1.
What is the InChIKey of 2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is LRPLSFFCLPAWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-16-23(32-22(26-16)14-18-8-4-3-5-9-18)25(30)28-27-24(29)17(2)31-21-13-12-19-10-6-7-11-20(19)15-21/h3-13,15,17H,14H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide?
2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 445.54 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 55650629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).