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

C15H19N3S — CID 53271584

IUPACN-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine
SMILESc1ccc(-c2cnc(CNN3CCCCC3)s2)cc1
InChIInChI=1S/C15H19N3S/c1-3-7-13(8-4-1)14-11-16-15(19-14)12-17-18-9-5-2-6-10-18/h1,3-4,7-8,11,17H,2,5-6,9-10,12H2
InChIKeyWBLXBIKCCXYVSW-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.30
Rot. Bonds4

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

N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine (PubChem CID 53271584) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine
PubChem CID53271584
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine
SMILESc1ccc(-c2cnc(CNN3CCCCC3)s2)cc1
InChIInChI=1S/C15H19N3S/c1-3-7-13(8-4-1)14-11-16-15(19-14)12-17-18-9-5-2-6-10-18/h1,3-4,7-8,11,17H,2,5-6,9-10,12H2
InChIKeyWBLXBIKCCXYVSW-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine?
The IUPAC name of N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine (CID 53271584) is N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine.
What is the SMILES notation for N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine?
The canonical SMILES for N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine is c1ccc(-c2cnc(CNN3CCCCC3)s2)cc1.
What is the InChIKey of N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine?
The InChIKey is WBLXBIKCCXYVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-7-13(8-4-1)14-11-16-15(19-14)12-17-18-9-5-2-6-10-18/h1,3-4,7-8,11,17H,2,5-6,9-10,12H2.
What are the key properties of N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine?
N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine has a molecular weight of 273.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3-thiazol-2-yl)methyl]piperidin-1-amine is sourced from PubChem (CID 53271584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).