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

C31H21N5O2S — CID 127048255

IUPACN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1
InChIInChI=1S/C31H21N5O2S/c37-30(18-36-17-26(34-35-36)22-12-10-21(11-13-22)20-6-2-1-3-7-20)33-31-32-27(19-39-31)23-14-15-29-25(16-23)24-8-4-5-9-28(24)38-29/h1-17,19H,18H2,(H,32,33,37)
InChIKeyPFMREWGJWOATFN-UHFFFAOYSA-N
MW527.61 g/mol
LogP7.27
Rot. Bonds6

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

N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide (PubChem CID 127048255) has the molecular formula C31H21N5O2S and a molecular weight of 527.61 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide
PubChem CID127048255
Molecular FormulaC31H21N5O2S
Molecular Weight527.61 g/mol
Exact Mass527.14
IUPAC NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1
InChIInChI=1S/C31H21N5O2S/c37-30(18-36-17-26(34-35-36)22-12-10-21(11-13-22)20-6-2-1-3-7-20)33-31-32-27(19-39-31)23-14-15-29-25(16-23)24-8-4-5-9-28(24)38-29/h1-17,19H,18H2,(H,32,33,37)
InChIKeyPFMREWGJWOATFN-UHFFFAOYSA-N
XLogP7.27
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.61
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide?
The IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide (CID 127048255) is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide is O=C(Cn1cc(-c2ccc(-c3ccccc3)cc2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1.
What is the InChIKey of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide?
The InChIKey is PFMREWGJWOATFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N5O2S/c37-30(18-36-17-26(34-35-36)22-12-10-21(11-13-22)20-6-2-1-3-7-20)33-31-32-27(19-39-31)23-14-15-29-25(16-23)24-8-4-5-9-28(24)38-29/h1-17,19H,18H2,(H,32,33,37).
What are the key properties of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide?
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(4-phenylphenyl)triazol-1-yl]acetamide has a molecular weight of 527.61 g/mol, XLogP of 7.27, 6 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-phenylphenyl)triazol-1-yl]acetamide is sourced from PubChem (CID 127048255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).