N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine

C18H25N3S — CID 56702683

IUPACN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine
SMILESCCc1csc(CNC2CCN(c3ccc(C)cc3)CC2)n1
InChIInChI=1S/C18H25N3S/c1-3-15-13-22-18(20-15)12-19-16-8-10-21(11-9-16)17-6-4-14(2)5-7-17/h4-7,13,16,19H,3,8-12H2,1-2H3
InChIKeyFMWBYNXWTQBGHW-UHFFFAOYSA-N
MW315.49 g/mol
LogP3.77
Rot. Bonds5

About N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine (PubChem CID 56702683) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine
PubChem CID56702683
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC NameN-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine
SMILESCCc1csc(CNC2CCN(c3ccc(C)cc3)CC2)n1
InChIInChI=1S/C18H25N3S/c1-3-15-13-22-18(20-15)12-19-16-8-10-21(11-9-16)17-6-4-14(2)5-7-17/h4-7,13,16,19H,3,8-12H2,1-2H3
InChIKeyFMWBYNXWTQBGHW-UHFFFAOYSA-N
XLogP3.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine?
The IUPAC name of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine (CID 56702683) is N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine?
The canonical SMILES for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine is CCc1csc(CNC2CCN(c3ccc(C)cc3)CC2)n1.
What is the InChIKey of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine?
The InChIKey is FMWBYNXWTQBGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-3-15-13-22-18(20-15)12-19-16-8-10-21(11-9-16)17-6-4-14(2)5-7-17/h4-7,13,16,19H,3,8-12H2,1-2H3.
What are the key properties of N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine?
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine has a molecular weight of 315.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1-(4-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 56702683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).