N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine

C20H24N4OS — CID 46988712

IUPACN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
SMILESCc1cc(CN(C)C2CCN(c3cccc(-c4cscn4)c3)CC2)on1
InChIInChI=1S/C20H24N4OS/c1-15-10-19(25-22-15)12-23(2)17-6-8-24(9-7-17)18-5-3-4-16(11-18)20-13-26-14-21-20/h3-5,10-11,13-14,17H,6-9,12H2,1-2H3
InChIKeyLUWAWMUBIVMWIN-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.21
Rot. Bonds5

About N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine

N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine (PubChem CID 46988712) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
PubChem CID46988712
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
SMILESCc1cc(CN(C)C2CCN(c3cccc(-c4cscn4)c3)CC2)on1
InChIInChI=1S/C20H24N4OS/c1-15-10-19(25-22-15)12-23(2)17-6-8-24(9-7-17)18-5-3-4-16(11-18)20-13-26-14-21-20/h3-5,10-11,13-14,17H,6-9,12H2,1-2H3
InChIKeyLUWAWMUBIVMWIN-UHFFFAOYSA-N
XLogP4.21
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine (CID 46988712) is N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine is Cc1cc(CN(C)C2CCN(c3cccc(-c4cscn4)c3)CC2)on1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
The InChIKey is LUWAWMUBIVMWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-15-10-19(25-22-15)12-23(2)17-6-8-24(9-7-17)18-5-3-4-16(11-18)20-13-26-14-21-20/h3-5,10-11,13-14,17H,6-9,12H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine?
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine has a molecular weight of 368.51 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 46988712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).