1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C19H19N3O3S — CID 51112169

IUPAC1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C19H19N3O3S/c23-16-3-1-13(2-4-16)18(25)14-5-7-21(8-6-14)17(24)11-15-12-22-9-10-26-19(22)20-15/h1-4,9-10,12,14,23H,5-8,11H2
InChIKeyDFJWOFMXKBBKFZ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.77
Rot. Bonds4

About 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 51112169) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID51112169
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESO=C(c1ccc(O)cc1)C1CCN(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C19H19N3O3S/c23-16-3-1-13(2-4-16)18(25)14-5-7-21(8-6-14)17(24)11-15-12-22-9-10-26-19(22)20-15/h1-4,9-10,12,14,23H,5-8,11H2
InChIKeyDFJWOFMXKBBKFZ-UHFFFAOYSA-N
XLogP2.77
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 51112169) is 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is O=C(c1ccc(O)cc1)C1CCN(C(=O)Cc2cn3ccsc3n2)CC1.
What is the InChIKey of 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is DFJWOFMXKBBKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-16-3-1-13(2-4-16)18(25)14-5-7-21(8-6-14)17(24)11-15-12-22-9-10-26-19(22)20-15/h1-4,9-10,12,14,23H,5-8,11H2.
What are the key properties of 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 369.45 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 51112169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).