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

C18H18N4O2S — CID 165422017

IUPAC[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone
SMILESNc1nc(C2(c3ccccc3)CCN(C(=O)c3cocn3)CC2)cs1
InChIInChI=1S/C18H18N4O2S/c19-17-21-15(11-25-17)18(13-4-2-1-3-5-13)6-8-22(9-7-18)16(23)14-10-24-12-20-14/h1-5,10-12H,6-9H2,(H2,19,21)
InChIKeyGWSOXGSERGSIBG-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.94
Rot. Bonds3

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

[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone (PubChem CID 165422017) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone
PubChem CID165422017
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone
SMILESNc1nc(C2(c3ccccc3)CCN(C(=O)c3cocn3)CC2)cs1
InChIInChI=1S/C18H18N4O2S/c19-17-21-15(11-25-17)18(13-4-2-1-3-5-13)6-8-22(9-7-18)16(23)14-10-24-12-20-14/h1-5,10-12H,6-9H2,(H2,19,21)
InChIKeyGWSOXGSERGSIBG-UHFFFAOYSA-N
XLogP2.94
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-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-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone (CID 165422017) is [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone is Nc1nc(C2(c3ccccc3)CCN(C(=O)c3cocn3)CC2)cs1.
What is the InChIKey of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone?
The InChIKey is GWSOXGSERGSIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c19-17-21-15(11-25-17)18(13-4-2-1-3-5-13)6-8-22(9-7-18)16(23)14-10-24-12-20-14/h1-5,10-12H,6-9H2,(H2,19,21).
What are the key properties of [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone?
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone has a molecular weight of 354.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 165422017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).