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

C17H18N4OS — CID 165424878

IUPAC4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
SMILESNc1nc(C2(c3ccccc3)CCN(c3ncco3)CC2)cs1
InChIInChI=1S/C17H18N4OS/c18-15-20-14(12-23-15)17(13-4-2-1-3-5-13)6-9-21(10-7-17)16-19-8-11-22-16/h1-5,8,11-12H,6-7,9-10H2,(H2,18,20)
InChIKeyLGIBFCCDNNWMIV-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.30
Rot. Bonds3

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

4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 165424878) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
PubChem CID165424878
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
SMILESNc1nc(C2(c3ccccc3)CCN(c3ncco3)CC2)cs1
InChIInChI=1S/C17H18N4OS/c18-15-20-14(12-23-15)17(13-4-2-1-3-5-13)6-9-21(10-7-17)16-19-8-11-22-16/h1-5,8,11-12H,6-7,9-10H2,(H2,18,20)
InChIKeyLGIBFCCDNNWMIV-UHFFFAOYSA-N
XLogP3.30
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine (CID 165424878) is 4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine is Nc1nc(C2(c3ccccc3)CCN(c3ncco3)CC2)cs1.
What is the InChIKey of 4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is LGIBFCCDNNWMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c18-15-20-14(12-23-15)17(13-4-2-1-3-5-13)6-9-21(10-7-17)16-19-8-11-22-16/h1-5,8,11-12H,6-7,9-10H2,(H2,18,20).
What are the key properties of 4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine?
4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 326.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 165424878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).