3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide

C34H49BrN2O3S — CID 173343363

IUPAC3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide
SMILESBr.CCCCCCCCCCCCCCOc1ccc(C(=O)Nc2ccc(CN3C=C(C)SC3)cc2)cc1C(C)=O
InChIInChI=1S/C34H48N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-39-33-21-18-30(23-32(33)28(3)37)34(38)35-31-19-16-29(17-20-31)25-36-24-27(2)40-26-36;/h16-21,23-24H,4-15,22,25-26H2,1-3H3,(H,35,38);1H
InChIKeyIDAOAGFMTUVFQC-UHFFFAOYSA-N
MW645.75 g/mol
LogP10.17
Rot. Bonds19

About 3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide

3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide (PubChem CID 173343363) has the molecular formula C34H49BrN2O3S and a molecular weight of 645.75 g/mol. Its IUPAC name is 3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide.

Molecular Properties

Compound Name3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide
PubChem CID173343363
Molecular FormulaC34H49BrN2O3S
Molecular Weight645.75 g/mol
Exact Mass644.26
IUPAC Name3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide
SMILESBr.CCCCCCCCCCCCCCOc1ccc(C(=O)Nc2ccc(CN3C=C(C)SC3)cc2)cc1C(C)=O
InChIInChI=1S/C34H48N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-39-33-21-18-30(23-32(33)28(3)37)34(38)35-31-19-16-29(17-20-31)25-36-24-27(2)40-26-36;/h16-21,23-24H,4-15,22,25-26H2,1-3H3,(H,35,38);1H
InChIKeyIDAOAGFMTUVFQC-UHFFFAOYSA-N
XLogP10.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.75
LogP ≤ 510.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide 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

3-tert-butyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide
CID 173342839
4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]-N-(4-tetradecoxyphenyl)benzamide;hydrobromide
CID 173342948
N-(4-chloro-3-tetradecoxyphenyl)-4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]benzamide;hydrobromide
CID 173342990
4-chloro-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-2-tetradecoxybenzamide
CID 57266833
3-fluoro-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide
CID 173342608
N-(3-fluoro-4-tetradecoxyphenyl)-3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]benzamide
CID 57259402
1-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-3-(4-tetradecoxyphenyl)urea
CID 173342854
4-tert-butyl-3-decoxy-N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]benzamide
CID 56989967
2-(4-tert-butyl-2-tetradecoxyphenoxy)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173342290
N-[3-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide
CID 173342252
2-(4-methoxy-2-tetradecoxyphenyl)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173342703
2-(4-chloro-3-tetradecoxyphenoxy)-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]acetamide;hydrobromide
CID 173343535

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide?
The IUPAC name of 3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide (CID 173343363) is 3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide.
What is the SMILES notation for 3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide?
The canonical SMILES for 3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide is Br.CCCCCCCCCCCCCCOc1ccc(C(=O)Nc2ccc(CN3C=C(C)SC3)cc2)cc1C(C)=O.
What is the InChIKey of 3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide?
The InChIKey is IDAOAGFMTUVFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N2O3S.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-39-33-21-18-30(23-32(33)28(3)37)34(38)35-31-19-16-29(17-20-31)25-36-24-27(2)40-26-36;/h16-21,23-24H,4-15,22,25-26H2,1-3H3,(H,35,38);1H.
What are the key properties of 3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide?
3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide has a molecular weight of 645.75 g/mol, XLogP of 10.17, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[4-[(5-methyl-2H-1,3-thiazol-3-yl)methyl]phenyl]-4-tetradecoxybenzamide;hydrobromide is sourced from PubChem (CID 173343363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).