N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine

C15H19N3S — CID 2727791

IUPACN-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C15H19N3S/c1-3-7-13(8-4-1)16-15-17-14(12-19-15)11-18-9-5-2-6-10-18/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,16,17)
InChIKeyCPHPIPSBPUVZOG-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.87
Rot. Bonds4

About N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine

N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 2727791) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
PubChem CID2727791
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C15H19N3S/c1-3-7-13(8-4-1)16-15-17-14(12-19-15)11-18-9-5-2-6-10-18/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,16,17)
InChIKeyCPHPIPSBPUVZOG-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine (CID 2727791) is N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine is c1ccc(Nc2nc(CN3CCCCC3)cs2)cc1.
What is the InChIKey of N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is CPHPIPSBPUVZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-7-13(8-4-1)16-15-17-14(12-19-15)11-18-9-5-2-6-10-18/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,16,17).
What are the key properties of N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine?
N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 273.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2727791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).