N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide

C20H27N3O2S — CID 55382237

IUPACN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
SMILESCCCCCC(=O)Nc1nc(-c2ccc(CCCNC(C)=O)cc2)cs1
InChIInChI=1S/C20H27N3O2S/c1-3-4-5-8-19(25)23-20-22-18(14-26-20)17-11-9-16(10-12-17)7-6-13-21-15(2)24/h9-12,14H,3-8,13H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyZAZZPTDUGLIISS-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.40
Rot. Bonds10

About N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide

N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide (PubChem CID 55382237) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide.

Molecular Properties

Compound NameN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
PubChem CID55382237
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
SMILESCCCCCC(=O)Nc1nc(-c2ccc(CCCNC(C)=O)cc2)cs1
InChIInChI=1S/C20H27N3O2S/c1-3-4-5-8-19(25)23-20-22-18(14-26-20)17-11-9-16(10-12-17)7-6-13-21-15(2)24/h9-12,14H,3-8,13H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyZAZZPTDUGLIISS-UHFFFAOYSA-N
XLogP4.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-aminoacetamide;hydrochloride
CID 119271984
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78863437
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 55429757
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-amino-3-methoxybutanamide;hydrochloride
CID 120587262
4-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 112773146
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 29499487
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methylbenzamide
CID 36531308
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 27993119
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
CID 112773417

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide?
The IUPAC name of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide (CID 55382237) is N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide.
What is the SMILES notation for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide?
The canonical SMILES for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide is CCCCCC(=O)Nc1nc(-c2ccc(CCCNC(C)=O)cc2)cs1.
What is the InChIKey of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide?
The InChIKey is ZAZZPTDUGLIISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-4-5-8-19(25)23-20-22-18(14-26-20)17-11-9-16(10-12-17)7-6-13-21-15(2)24/h9-12,14H,3-8,13H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide?
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide has a molecular weight of 373.52 g/mol, XLogP of 4.40, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide is sourced from PubChem (CID 55382237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).