[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone

C21H24N4O3S — CID 165424059

IUPAC[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCOCCNc1nc(C2(c3ccccc3)CCN(C(=O)c3cnco3)CC2)cs1
InChIInChI=1S/C21H24N4O3S/c1-27-12-9-23-20-24-18(14-29-20)21(16-5-3-2-4-6-16)7-10-25(11-8-21)19(26)17-13-22-15-28-17/h2-6,13-15H,7-12H2,1H3,(H,23,24)
InChIKeyWSSLBDMLRHRVNG-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.41
Rot. Bonds7

About [4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone

[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 165424059) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is [4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID165424059
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone
SMILESCOCCNc1nc(C2(c3ccccc3)CCN(C(=O)c3cnco3)CC2)cs1
InChIInChI=1S/C21H24N4O3S/c1-27-12-9-23-20-24-18(14-29-20)21(16-5-3-2-4-6-16)7-10-25(11-8-21)19(26)17-13-22-15-28-17/h2-6,13-15H,7-12H2,1H3,(H,23,24)
InChIKeyWSSLBDMLRHRVNG-UHFFFAOYSA-N
XLogP3.41
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone (CID 165424059) is [4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone is COCCNc1nc(C2(c3ccccc3)CCN(C(=O)c3cnco3)CC2)cs1.
What is the InChIKey of [4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is WSSLBDMLRHRVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-27-12-9-23-20-24-18(14-29-20)21(16-5-3-2-4-6-16)7-10-25(11-8-21)19(26)17-13-22-15-28-17/h2-6,13-15H,7-12H2,1H3,(H,23,24).
What are the key properties of [4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone?
[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 412.52 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 165424059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).