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

C27H21N5O2S — CID 127048943

IUPACN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2-phenylethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCc2ccccc2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1
InChIInChI=1S/C27H21N5O2S/c33-26(16-32-15-20(30-31-32)12-10-18-6-2-1-3-7-18)29-27-28-23(17-35-27)19-11-13-25-22(14-19)21-8-4-5-9-24(21)34-25/h1-9,11,13-15,17H,10,12,16H2,(H,28,29,33)
InChIKeyMLRHXVLODVNVJI-UHFFFAOYSA-N
MW479.57 g/mol
LogP5.72
Rot. Bonds7

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

N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2-phenylethyl)triazol-1-yl]acetamide (PubChem CID 127048943) has the molecular formula C27H21N5O2S and a molecular weight of 479.57 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2-phenylethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2-phenylethyl)triazol-1-yl]acetamide
PubChem CID127048943
Molecular FormulaC27H21N5O2S
Molecular Weight479.57 g/mol
Exact Mass479.14
IUPAC NameN-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2-phenylethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCc2ccccc2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1
InChIInChI=1S/C27H21N5O2S/c33-26(16-32-15-20(30-31-32)12-10-18-6-2-1-3-7-18)29-27-28-23(17-35-27)19-11-13-25-22(14-19)21-8-4-5-9-24(21)34-25/h1-9,11,13-15,17H,10,12,16H2,(H,28,29,33)
InChIKeyMLRHXVLODVNVJI-UHFFFAOYSA-N
XLogP5.72
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.57
LogP ≤ 55.72
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
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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-(2-phenylethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2-phenylethyl)triazol-1-yl]acetamide (CID 127048943) is N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2-phenylethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2-phenylethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2-phenylethyl)triazol-1-yl]acetamide is O=C(Cn1cc(CCc2ccccc2)nn1)Nc1nc(-c2ccc3oc4ccccc4c3c2)cs1.
What is the InChIKey of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2-phenylethyl)triazol-1-yl]acetamide?
The InChIKey is MLRHXVLODVNVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2S/c33-26(16-32-15-20(30-31-32)12-10-18-6-2-1-3-7-18)29-27-28-23(17-35-27)19-11-13-25-22(14-19)21-8-4-5-9-24(21)34-25/h1-9,11,13-15,17H,10,12,16H2,(H,28,29,33).
What are the key properties of N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2-phenylethyl)triazol-1-yl]acetamide?
N-(4-dibenzofuran-2-yl-1,3-thiazol-2-yl)-2-[4-(2-phenylethyl)triazol-1-yl]acetamide has a molecular weight of 479.57 g/mol, XLogP of 5.72, 7 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-(2-phenylethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 127048943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).