(4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

C18H23N3OS — CID 25326408

IUPAC(4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H23N3OS/c1-13-16(17(19-2)23-20-13)18(22)21-10-8-15(9-11-21)12-14-6-4-3-5-7-14/h3-7,15,19H,8-12H2,1-2H3
InChIKeyFPUWDXSKUDLZMD-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.59
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

(4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (PubChem CID 25326408) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
PubChem CID25326408
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H23N3OS/c1-13-16(17(19-2)23-20-13)18(22)21-10-8-15(9-11-21)12-14-6-4-3-5-7-14/h3-7,15,19H,8-12H2,1-2H3
InChIKeyFPUWDXSKUDLZMD-UHFFFAOYSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (CID 25326408) is (4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is CNc1snc(C)c1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The InChIKey is FPUWDXSKUDLZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13-16(17(19-2)23-20-13)18(22)21-10-8-15(9-11-21)12-14-6-4-3-5-7-14/h3-7,15,19H,8-12H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
(4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone has a molecular weight of 329.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is sourced from PubChem (CID 25326408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).