4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine

C23H28N2S — CID 58791246

IUPAC4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine
SMILESCCCCCCCc1ccc(Nc2nc(Cc3ccccc3)cs2)cc1
InChIInChI=1S/C23H28N2S/c1-2-3-4-5-7-10-19-13-15-21(16-14-19)24-23-25-22(18-26-23)17-20-11-8-6-9-12-20/h6,8-9,11-16,18H,2-5,7,10,17H2,1H3,(H,24,25)
InChIKeyICORIPWGZSTVNX-UHFFFAOYSA-N
MW364.56 g/mol
LogP6.99
Rot. Bonds10

About 4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine

4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine (PubChem CID 58791246) has the molecular formula C23H28N2S and a molecular weight of 364.56 g/mol. Its IUPAC name is 4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine
PubChem CID58791246
Molecular FormulaC23H28N2S
Molecular Weight364.56 g/mol
Exact Mass364.20
IUPAC Name4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine
SMILESCCCCCCCc1ccc(Nc2nc(Cc3ccccc3)cs2)cc1
InChIInChI=1S/C23H28N2S/c1-2-3-4-5-7-10-19-13-15-21(16-14-19)24-23-25-22(18-26-23)17-20-11-8-6-9-12-20/h6,8-9,11-16,18H,2-5,7,10,17H2,1H3,(H,24,25)
InChIKeyICORIPWGZSTVNX-UHFFFAOYSA-N
XLogP6.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.56
LogP ≤ 56.99
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

4-butyl-N-phenyl-1,3-thiazol-2-amine
CID 141316457
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-butylphenyl)acetamide
CID 30940399
4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine
CID 58791925
2-(4-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024050
4-[(3,4-difluorophenyl)methyl]-N-(4-octoxyphenyl)-1,3-thiazol-2-amine;ethane
CID 143328801
4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine
CID 87078108
pentadecane;pentadecylbenzene
CID 174970881
octacosylbenzene
CID 14228596
4-(3,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine
CID 58791311
octylbenzene
CID 16607
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine (CID 58791246) is 4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine is CCCCCCCc1ccc(Nc2nc(Cc3ccccc3)cs2)cc1.
What is the InChIKey of 4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine?
The InChIKey is ICORIPWGZSTVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2S/c1-2-3-4-5-7-10-19-13-15-21(16-14-19)24-23-25-22(18-26-23)17-20-11-8-6-9-12-20/h6,8-9,11-16,18H,2-5,7,10,17H2,1H3,(H,24,25).
What are the key properties of 4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine?
4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine has a molecular weight of 364.56 g/mol, XLogP of 6.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58791246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).