N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide

C25H25N5O2S — CID 127048944

IUPACN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide
SMILESCCCCCCc1cn(CC(=O)Nc2nc(-c3ccc4oc5ccccc5c4c3)cs2)nn1
InChIInChI=1S/C25H25N5O2S/c1-2-3-4-5-8-18-14-30(29-28-18)15-24(31)27-25-26-21(16-33-25)17-11-12-23-20(13-17)19-9-6-7-10-22(19)32-23/h6-7,9-14,16H,2-5,8,15H2,1H3,(H,26,27,31)
InChIKeyYMZIHMDBDNWAKT-UHFFFAOYSA-N
MW459.58 g/mol
LogP6.06
Rot. Bonds9

About N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide

N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide (PubChem CID 127048944) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide
PubChem CID127048944
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide
SMILESCCCCCCc1cn(CC(=O)Nc2nc(-c3ccc4oc5ccccc5c4c3)cs2)nn1
InChIInChI=1S/C25H25N5O2S/c1-2-3-4-5-8-18-14-30(29-28-18)15-24(31)27-25-26-21(16-33-25)17-11-12-23-20(13-17)19-9-6-7-10-22(19)32-23/h6-7,9-14,16H,2-5,8,15H2,1H3,(H,26,27,31)
InChIKeyYMZIHMDBDNWAKT-UHFFFAOYSA-N
XLogP6.06
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.58
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 46916329
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CID 121333734
CID 121333734
CID 127048255
CID 127048255
CID 127048589
CID 127048589
CID 127048590
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CID 127048591
CID 127048591
CID 127048592
CID 127048592

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide?
The IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide (CID 127048944) is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide.
What is the SMILES notation for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide?
The canonical SMILES for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide is CCCCCCc1cn(CC(=O)Nc2nc(-c3ccc4oc5ccccc5c4c3)cs2)nn1.
What is the InChIKey of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide?
The InChIKey is YMZIHMDBDNWAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-2-3-4-5-8-18-14-30(29-28-18)15-24(31)27-25-26-21(16-33-25)17-11-12-23-20(13-17)19-9-6-7-10-22(19)32-23/h6-7,9-14,16H,2-5,8,15H2,1H3,(H,26,27,31).
What are the key properties of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide?
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide has a molecular weight of 459.58 g/mol, XLogP of 6.06, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-hexyltriazol-1-yl)acetamide is sourced from PubChem (CID 127048944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).