2-benzyl-5-piperidin-4-yl-1,3-thiazole

C15H18N2S — CID 18187536

IUPAC2-benzyl-5-piperidin-4-yl-1,3-thiazole
SMILESc1ccc(Cc2ncc(C3CCNCC3)s2)cc1
InChIInChI=1S/C15H18N2S/c1-2-4-12(5-3-1)10-15-17-11-14(18-15)13-6-8-16-9-7-13/h1-5,11,13,16H,6-10H2
InChIKeyXVMYFNBQKWYZQW-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.20
Rot. Bonds3

About 2-benzyl-5-piperidin-4-yl-1,3-thiazole

2-benzyl-5-piperidin-4-yl-1,3-thiazole (PubChem CID 18187536) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-benzyl-5-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-benzyl-5-piperidin-4-yl-1,3-thiazole
PubChem CID18187536
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-benzyl-5-piperidin-4-yl-1,3-thiazole
SMILESc1ccc(Cc2ncc(C3CCNCC3)s2)cc1
InChIInChI=1S/C15H18N2S/c1-2-4-12(5-3-1)10-15-17-11-14(18-15)13-6-8-16-9-7-13/h1-5,11,13,16H,6-10H2
InChIKeyXVMYFNBQKWYZQW-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 2-benzyl-5-piperidin-4-yl-1,3-thiazole (CID 18187536) is 2-benzyl-5-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-benzyl-5-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 2-benzyl-5-piperidin-4-yl-1,3-thiazole is c1ccc(Cc2ncc(C3CCNCC3)s2)cc1.
What is the InChIKey of 2-benzyl-5-piperidin-4-yl-1,3-thiazole?
The InChIKey is XVMYFNBQKWYZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-4-12(5-3-1)10-15-17-11-14(18-15)13-6-8-16-9-7-13/h1-5,11,13,16H,6-10H2.
What are the key properties of 2-benzyl-5-piperidin-4-yl-1,3-thiazole?
2-benzyl-5-piperidin-4-yl-1,3-thiazole has a molecular weight of 258.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 18187536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).