[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

C16H18N2OS — CID 17474442

IUPAC[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2nc(C(=O)N3CCCCC3)cs2)cc1
InChIInChI=1S/C16H18N2OS/c1-12-5-7-13(8-6-12)15-17-14(11-20-15)16(19)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3
InChIKeyUGTPPKIFZLNJHI-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.74
Rot. Bonds2

About [2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 17474442) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
PubChem CID17474442
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2nc(C(=O)N3CCCCC3)cs2)cc1
InChIInChI=1S/C16H18N2OS/c1-12-5-7-13(8-6-12)15-17-14(11-20-15)16(19)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3
InChIKeyUGTPPKIFZLNJHI-UHFFFAOYSA-N
XLogP3.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 55976613
furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 34470311
1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 45338261
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-(3-methylsulfonylpiperidin-1-yl)methanone
CID 154781836
azepan-1-yl-[1-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methanone
CID 17392352
[3-(4-hydroxyphenyl)azetidin-1-yl]-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 166397782
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992454
(3,4-dimethoxyphenyl)-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 33002448
(3-methylphenyl)-[4-(2-phenyl-1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 55564448
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
(3S)-1-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119112072

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (CID 17474442) is [2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is Cc1ccc(-c2nc(C(=O)N3CCCCC3)cs2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is UGTPPKIFZLNJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-12-5-7-13(8-6-12)15-17-14(11-20-15)16(19)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of [2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 286.40 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 17474442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).