phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone

C22H22N2OS — CID 16605883

IUPACphenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H22N2OS/c25-21(17-7-3-1-4-8-17)18-11-13-24(14-12-18)15-20-16-26-22(23-20)19-9-5-2-6-10-19/h1-10,16,18H,11-15H2
InChIKeyFWPCJZOVNUIFDC-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.91
Rot. Bonds5

About phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone

phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone (PubChem CID 16605883) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
PubChem CID16605883
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Namephenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
SMILESO=C(c1ccccc1)C1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H22N2OS/c25-21(17-7-3-1-4-8-17)18-11-13-24(14-12-18)15-20-16-26-22(23-20)19-9-5-2-6-10-19/h1-10,16,18H,11-15H2
InChIKeyFWPCJZOVNUIFDC-UHFFFAOYSA-N
XLogP4.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 51326235
[1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 16605901
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907162
4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]piperidine-1-sulfonamide
CID 43056186
N-(5-chloro-2-pyridinyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55816063
1-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119907156
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114681267
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617
N-benzyl-N-cyclopropyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 60501987
methyl 3-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]benzoate
CID 30410977

Frequently Asked Questions

What is the IUPAC name of phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone (CID 16605883) is phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone is O=C(c1ccccc1)C1CCN(Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is FWPCJZOVNUIFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c25-21(17-7-3-1-4-8-17)18-11-13-24(14-12-18)15-20-16-26-22(23-20)19-9-5-2-6-10-19/h1-10,16,18H,11-15H2.
What are the key properties of phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone?
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 362.50 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 16605883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).