N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine

C26H24N2O2S — CID 72706247

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccccc1Cc1sc(NCc2ccc3c(c2)CCO3)nc1-c1ccccc1
InChIInChI=1S/C26H24N2O2S/c1-29-22-10-6-5-9-20(22)16-24-25(19-7-3-2-4-8-19)28-26(31-24)27-17-18-11-12-23-21(15-18)13-14-30-23/h2-12,15H,13-14,16-17H2,1H3,(H,27,28)
InChIKeyPDRMUBBHHHZQLP-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.96
Rot. Bonds7

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 72706247) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID72706247
Molecular FormulaC26H24N2O2S
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1ccccc1Cc1sc(NCc2ccc3c(c2)CCO3)nc1-c1ccccc1
InChIInChI=1S/C26H24N2O2S/c1-29-22-10-6-5-9-20(22)16-24-25(19-7-3-2-4-8-19)28-26(31-24)27-17-18-11-12-23-21(15-18)13-14-30-23/h2-12,15H,13-14,16-17H2,1H3,(H,27,28)
InChIKeyPDRMUBBHHHZQLP-UHFFFAOYSA-N
XLogP5.96
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine (CID 72706247) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine is COc1ccccc1Cc1sc(NCc2ccc3c(c2)CCO3)nc1-c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is PDRMUBBHHHZQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2S/c1-29-22-10-6-5-9-20(22)16-24-25(19-7-3-2-4-8-19)28-26(31-24)27-17-18-11-12-23-21(15-18)13-14-30-23/h2-12,15H,13-14,16-17H2,1H3,(H,27,28).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 428.56 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-[(2-methoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 72706247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).