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

C17H23N3S — CID 62900558

IUPACN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine
SMILESc1ccc(-c2csc(CNCCN3CCCCC3)n2)cc1
InChIInChI=1S/C17H23N3S/c1-3-7-15(8-4-1)16-14-21-17(19-16)13-18-9-12-20-10-5-2-6-11-20/h1,3-4,7-8,14,18H,2,5-6,9-13H2
InChIKeyHGIFUQNZNQUECR-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.39
Rot. Bonds6

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

N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 62900558) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine
PubChem CID62900558
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine
SMILESc1ccc(-c2csc(CNCCN3CCCCC3)n2)cc1
InChIInChI=1S/C17H23N3S/c1-3-7-15(8-4-1)16-14-21-17(19-16)13-18-9-12-20-10-5-2-6-11-20/h1,3-4,7-8,14,18H,2,5-6,9-13H2
InChIKeyHGIFUQNZNQUECR-UHFFFAOYSA-N
XLogP3.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine (CID 62900558) is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine is c1ccc(-c2csc(CNCCN3CCCCC3)n2)cc1.
What is the InChIKey of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is HGIFUQNZNQUECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-3-7-15(8-4-1)16-14-21-17(19-16)13-18-9-12-20-10-5-2-6-11-20/h1,3-4,7-8,14,18H,2,5-6,9-13H2.
What are the key properties of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine?
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 301.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 62900558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).