4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole

C20H20N4OS — CID 166627316

IUPAC4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESc1ccc2oc(-c3csc(C4CCN(Cc5ncc[nH]5)CC4)n3)cc2c1
InChIInChI=1S/C20H20N4OS/c1-2-4-17-15(3-1)11-18(25-17)16-13-26-20(23-16)14-5-9-24(10-6-14)12-19-21-7-8-22-19/h1-4,7-8,11,13-14H,5-6,9-10,12H2,(H,21,22)
InChIKeyBXSQKVVRZKZSDV-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.66
Rot. Bonds4

About 4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole

4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole (PubChem CID 166627316) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
PubChem CID166627316
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
SMILESc1ccc2oc(-c3csc(C4CCN(Cc5ncc[nH]5)CC4)n3)cc2c1
InChIInChI=1S/C20H20N4OS/c1-2-4-17-15(3-1)11-18(25-17)16-13-26-20(23-16)14-5-9-24(10-6-14)12-19-21-7-8-22-19/h1-4,7-8,11,13-14H,5-6,9-10,12H2,(H,21,22)
InChIKeyBXSQKVVRZKZSDV-UHFFFAOYSA-N
XLogP4.66
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole (CID 166627316) is 4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole is c1ccc2oc(-c3csc(C4CCN(Cc5ncc[nH]5)CC4)n3)cc2c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole?
The InChIKey is BXSQKVVRZKZSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-2-4-17-15(3-1)11-18(25-17)16-13-26-20(23-16)14-5-9-24(10-6-14)12-19-21-7-8-22-19/h1-4,7-8,11,13-14H,5-6,9-10,12H2,(H,21,22).
What are the key properties of 4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole has a molecular weight of 364.47 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 166627316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).