N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide

C25H39N3OS — CID 5068423

IUPACN'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide
SMILESCCCCCCCCCCCCCCCC(=O)NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C25H39N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(29)27-28-25-26-23(21-30-25)22-18-15-14-16-19-22/h14-16,18-19,21H,2-13,17,20H2,1H3,(H,26,28)(H,27,29)
InChIKeyPBKBPVSYURHESD-UHFFFAOYSA-N
MW429.67 g/mol
LogP7.73
Rot. Bonds17

About N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide

N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide (PubChem CID 5068423) has the molecular formula C25H39N3OS and a molecular weight of 429.67 g/mol. Its IUPAC name is N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide.

Molecular Properties

Compound NameN'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide
PubChem CID5068423
Molecular FormulaC25H39N3OS
Molecular Weight429.67 g/mol
Exact Mass429.28
IUPAC NameN'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide
SMILESCCCCCCCCCCCCCCCC(=O)NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C25H39N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(29)27-28-25-26-23(21-30-25)22-18-15-14-16-19-22/h14-16,18-19,21H,2-13,17,20H2,1H3,(H,26,28)(H,27,29)
InChIKeyPBKBPVSYURHESD-UHFFFAOYSA-N
XLogP7.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.67
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]nonanehydrazide
CID 2718859
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]nonanamide
CID 4874226
tert-butyl N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbamate
CID 89465893
S-[4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butyl] 2-methylpropanethioate
CID 163269958
N-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetamide
CID 86802898
N'-(4-phenyl-1,3-thiazol-2-yl)-1H-indole-2-carbohydrazide
CID 132597210
8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
CID 97089517
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919

Frequently Asked Questions

What is the IUPAC name of N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide?
The IUPAC name of N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide (CID 5068423) is N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide.
What is the SMILES notation for N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide?
The canonical SMILES for N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide is CCCCCCCCCCCCCCCC(=O)NNc1nc(-c2ccccc2)cs1.
What is the InChIKey of N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide?
The InChIKey is PBKBPVSYURHESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(29)27-28-25-26-23(21-30-25)22-18-15-14-16-19-22/h14-16,18-19,21H,2-13,17,20H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide?
N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide has a molecular weight of 429.67 g/mol, XLogP of 7.73, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenyl-1,3-thiazol-2-yl)hexadecanehydrazide is sourced from PubChem (CID 5068423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).