(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine

C15H19N3S — CID 62765688

IUPAC(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
SMILESNCc1sc(N2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C15H19N3S/c16-11-13-14(12-7-3-1-4-8-12)17-15(19-13)18-9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-11,16H2
InChIKeyOYGLONLQMXXVMA-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.26
Rot. Bonds3

About (4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine

(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 62765688) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is (4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
PubChem CID62765688
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
SMILESNCc1sc(N2CCCCC2)nc1-c1ccccc1
InChIInChI=1S/C15H19N3S/c16-11-13-14(12-7-3-1-4-8-12)17-15(19-13)18-9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-11,16H2
InChIKeyOYGLONLQMXXVMA-UHFFFAOYSA-N
XLogP3.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine (CID 62765688) is (4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine is NCc1sc(N2CCCCC2)nc1-c1ccccc1.
What is the InChIKey of (4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is OYGLONLQMXXVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c16-11-13-14(12-7-3-1-4-8-12)17-15(19-13)18-9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-11,16H2.
What are the key properties of (4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine?
(4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 273.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 62765688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).