N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide

C21H19BrFN3O3S — CID 46429583

IUPACN'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)NNC(=O)C(C)Oc1cccc(Br)c1
InChIInChI=1S/C21H19BrFN3O3S/c1-12-19(30-18(24-12)10-14-6-8-16(23)9-7-14)21(28)26-25-20(27)13(2)29-17-5-3-4-15(22)11-17/h3-9,11,13H,10H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQCBATXDGLKONCT-UHFFFAOYSA-N
MW492.37 g/mol
LogP4.17
Rot. Bonds6

About N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide

N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide (PubChem CID 46429583) has the molecular formula C21H19BrFN3O3S and a molecular weight of 492.37 g/mol. Its IUPAC name is N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide
PubChem CID46429583
Molecular FormulaC21H19BrFN3O3S
Molecular Weight492.37 g/mol
Exact Mass491.03
IUPAC NameN'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(Cc2ccc(F)cc2)sc1C(=O)NNC(=O)C(C)Oc1cccc(Br)c1
InChIInChI=1S/C21H19BrFN3O3S/c1-12-19(30-18(24-12)10-14-6-8-16(23)9-7-14)21(28)26-25-20(27)13(2)29-17-5-3-4-15(22)11-17/h3-9,11,13H,10H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyQCBATXDGLKONCT-UHFFFAOYSA-N
XLogP4.17
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-N'-[2-(4-fluorophenoxy)propanoyl]-4-methyl-1,3-thiazole-5-carbohydrazide
CID 46429594
2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide
CID 55650629
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55710144
2-[(4-fluorophenyl)methyl]-N-[3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55878596
(2S,3S)-2-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119194046
2-[(4-fluorophenyl)methyl]-4-methyl-N-[4-(2-methylpropanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55650082
(2R)-2-(3-bromophenoxy)-N'-[2-(3-fluorophenyl)acetyl]propanehydrazide
CID 9371318
2-[(4-fluorophenyl)methyl]-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 55804818
N'-[2-(3-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 51161486
N-[2-(3-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39947640
(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7818352
N'-[2-(3-bromophenoxy)propanoyl]-3,4-difluorobenzohydrazide
CID 51192759

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide (CID 46429583) is N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide is Cc1nc(Cc2ccc(F)cc2)sc1C(=O)NNC(=O)C(C)Oc1cccc(Br)c1.
What is the InChIKey of N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is QCBATXDGLKONCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrFN3O3S/c1-12-19(30-18(24-12)10-14-6-8-16(23)9-7-14)21(28)26-25-20(27)13(2)29-17-5-3-4-15(22)11-17/h3-9,11,13H,10H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide?
N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 492.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-bromophenoxy)propanoyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 46429583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).