5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole

C17H21NOS — CID 102298320

IUPAC5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1ncc(CC2(C)COc3ccccc32)s1
InChIInChI=1S/C17H21NOS/c1-12(2)8-16-18-10-13(20-16)9-17(3)11-19-15-7-5-4-6-14(15)17/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyYTMAUCDPHFHPCK-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.23
Rot. Bonds4

About 5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole

5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole (PubChem CID 102298320) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole
PubChem CID102298320
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1ncc(CC2(C)COc3ccccc32)s1
InChIInChI=1S/C17H21NOS/c1-12(2)8-16-18-10-13(20-16)9-17(3)11-19-15-7-5-4-6-14(15)17/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyYTMAUCDPHFHPCK-UHFFFAOYSA-N
XLogP4.23
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole (CID 102298320) is 5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1ncc(CC2(C)COc3ccccc32)s1.
What is the InChIKey of 5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole?
The InChIKey is YTMAUCDPHFHPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-12(2)8-16-18-10-13(20-16)9-17(3)11-19-15-7-5-4-6-14(15)17/h4-7,10,12H,8-9,11H2,1-3H3.
What are the key properties of 5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole?
5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole has a molecular weight of 287.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-2H-1-benzofuran-3-yl)methyl]-2-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 102298320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).