N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide

C26H40N2OS — CID 4161318

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C26H40N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(29)28-26-27-24(21-30-26)23-19-17-22(2)18-20-23/h17-21H,3-16H2,1-2H3,(H,27,28,29)
InChIKeyHNWOZRVCMOZARI-UHFFFAOYSA-N
MW428.69 g/mol
LogP8.54
Rot. Bonds16

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide (PubChem CID 4161318) has the molecular formula C26H40N2OS and a molecular weight of 428.69 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
PubChem CID4161318
Molecular FormulaC26H40N2OS
Molecular Weight428.69 g/mol
Exact Mass428.29
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1
InChIInChI=1S/C26H40N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(29)28-26-27-24(21-30-26)23-19-17-22(2)18-20-23/h17-21H,3-16H2,1-2H3,(H,27,28,29)
InChIKeyHNWOZRVCMOZARI-UHFFFAOYSA-N
XLogP8.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.69
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)octadecanamide
CID 108733431
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] butanoate
CID 2629045
5-chloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 43470750
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119676243
N'-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]nonanehydrazide
CID 2718859
N-(4-acetyl-1,3-thiazol-2-yl)decanamide
CID 60729978

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide (CID 4161318) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide?
The InChIKey is HNWOZRVCMOZARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(29)28-26-27-24(21-30-26)23-19-17-22(2)18-20-23/h17-21H,3-16H2,1-2H3,(H,27,28,29).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide has a molecular weight of 428.69 g/mol, XLogP of 8.54, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide is sourced from PubChem (CID 4161318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).