N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide

C26H19N5O2S — CID 127048589

IUPACN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide
SMILESCc1ccc(-c2cn(CC(=O)Nc3nc(-c4ccc5oc6ccccc6c5c4)cs3)nn2)cc1
InChIInChI=1S/C26H19N5O2S/c1-16-6-8-17(9-7-16)21-13-31(30-29-21)14-25(32)28-26-27-22(15-34-26)18-10-11-24-20(12-18)19-4-2-3-5-23(19)33-24/h2-13,15H,14H2,1H3,(H,27,28,32)
InChIKeyVFAWGONRKRWKPA-UHFFFAOYSA-N
MW465.54 g/mol
LogP5.92
Rot. Bonds5

About N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide

N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide (PubChem CID 127048589) has the molecular formula C26H19N5O2S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide
PubChem CID127048589
Molecular FormulaC26H19N5O2S
Molecular Weight465.54 g/mol
Exact Mass465.13
IUPAC NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide
SMILESCc1ccc(-c2cn(CC(=O)Nc3nc(-c4ccc5oc6ccccc6c5c4)cs3)nn2)cc1
InChIInChI=1S/C26H19N5O2S/c1-16-6-8-17(9-7-16)21-13-31(30-29-21)14-25(32)28-26-27-22(15-34-26)18-10-11-24-20(12-18)19-4-2-3-5-23(19)33-24/h2-13,15H,14H2,1H3,(H,27,28,32)
InChIKeyVFAWGONRKRWKPA-UHFFFAOYSA-N
XLogP5.92
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.54
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 71616538
CID 71616538
CID 127048255
CID 127048255
CID 127048590
CID 127048590
CID 127048591
CID 127048591
CID 127048592
CID 127048592
CID 127048611
CID 127048611
CID 127048942
CID 127048942
CID 127048943
CID 127048943
CID 127048944
CID 127048944
CID 127048945
CID 127048945
CID 127048946
CID 127048946
CID 127051724
CID 127051724

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide?
The IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide (CID 127048589) is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide is Cc1ccc(-c2cn(CC(=O)Nc3nc(-c4ccc5oc6ccccc6c5c4)cs3)nn2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide?
The InChIKey is VFAWGONRKRWKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O2S/c1-16-6-8-17(9-7-16)21-13-31(30-29-21)14-25(32)28-26-27-22(15-34-26)18-10-11-24-20(12-18)19-4-2-3-5-23(19)33-24/h2-13,15H,14H2,1H3,(H,27,28,32).
What are the key properties of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide?
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide has a molecular weight of 465.54 g/mol, XLogP of 5.92, 5 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-(4-methylphenyl)triazol-1-yl]acetamide is sourced from PubChem (CID 127048589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).