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

C25H17N5O2S — CID 127051724

IUPACN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1
InChIInChI=1S/C25H17N5O2S/c31-24(14-30-13-20(28-29-30)16-6-2-1-3-7-16)27-25-26-21(15-33-25)17-10-11-23-19(12-17)18-8-4-5-9-22(18)32-23/h1-13,15H,14H2,(H,26,27,31)
InChIKeyKBNWMZHWGRLFKK-UHFFFAOYSA-N
MW451.51 g/mol
LogP5.61
Rot. Bonds5

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

N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide (PubChem CID 127051724) has the molecular formula C25H17N5O2S and a molecular weight of 451.51 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide
PubChem CID127051724
Molecular FormulaC25H17N5O2S
Molecular Weight451.51 g/mol
Exact Mass451.11
IUPAC NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2ccccc2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1
InChIInChI=1S/C25H17N5O2S/c31-24(14-30-13-20(28-29-30)16-6-2-1-3-7-16)27-25-26-21(15-33-25)17-10-11-23-19(12-17)18-8-4-5-9-22(18)32-23/h1-13,15H,14H2,(H,26,27,31)
InChIKeyKBNWMZHWGRLFKK-UHFFFAOYSA-N
XLogP5.61
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.51
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166631330
N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1-benzofuran-5-carboxamide
CID 25233240
3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(1,3-thiazol-2-yl)benzamide
CID 71616538
2-((1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1H-imidazol-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 46916329
2-(2,3-Dihydro-1-benzofuran-5-yl)-N-[5-(1H-pyrrole-2-carbonyl)-1H-1,3-benzodiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 121333734
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide
CID 127048255
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-methylphenyl)triazol-1-yl]acetamide
CID 127048589
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(3-methoxyphenyl)triazol-1-yl]acetamide
CID 127048590
2-[4-[3,5-bis(trifluoromethyl)phenyl]triazol-1-yl]-N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)acetamide
CID 127048591
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2,4-difluorophenyl)triazol-1-yl]acetamide
CID 127048592
2-[4-(4-tert-butylphenyl)triazol-1-yl]-N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)acetamide
CID 127048611
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-pentylphenyl)triazol-1-yl]acetamide
CID 127048942

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide?
The IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide (CID 127051724) is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide.
What is the SMILES notation for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide?
The canonical SMILES for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide is O=C(Cn1cc(-c2ccccc2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1.
What is the InChIKey of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide?
The InChIKey is KBNWMZHWGRLFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O2S/c31-24(14-30-13-20(28-29-30)16-6-2-1-3-7-16)27-25-26-21(15-33-25)17-10-11-23-19(12-17)18-8-4-5-9-22(18)32-23/h1-13,15H,14H2,(H,26,27,31).
What are the key properties of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide?
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-(4-phenyltriazol-1-yl)acetamide has a molecular weight of 451.51 g/mol, XLogP of 5.61, 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-phenyltriazol-1-yl)acetamide is sourced from PubChem (CID 127051724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).