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

C18H22N2OS — CID 110333427

IUPAC3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one
SMILESCc1cccc(-c2nc(CCC(=O)N3CCCCC3)cs2)c1
InChIInChI=1S/C18H22N2OS/c1-14-6-5-7-15(12-14)18-19-16(13-22-18)8-9-17(21)20-10-3-2-4-11-20/h5-7,12-13H,2-4,8-11H2,1H3
InChIKeyKKUWMCXCURGHJM-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.06
Rot. Bonds4

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

3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 110333427) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID110333427
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one
SMILESCc1cccc(-c2nc(CCC(=O)N3CCCCC3)cs2)c1
InChIInChI=1S/C18H22N2OS/c1-14-6-5-7-15(12-14)18-19-16(13-22-18)8-9-17(21)20-10-3-2-4-11-20/h5-7,12-13H,2-4,8-11H2,1H3
InChIKeyKKUWMCXCURGHJM-UHFFFAOYSA-N
XLogP4.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110333425
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 110333431
2-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 22197561
1-(azocan-1-yl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanone
CID 55374619
4-[3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propanoyl]piperazine-1-carbaldehyde
CID 110333190
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27041100
N-(furan-2-ylmethyl)-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333440
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119596548
1,1-dimethyl-3-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317337
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119580568
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 51181873

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one (CID 110333427) is 3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one is Cc1cccc(-c2nc(CCC(=O)N3CCCCC3)cs2)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is KKUWMCXCURGHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14-6-5-7-15(12-14)18-19-16(13-22-18)8-9-17(21)20-10-3-2-4-11-20/h5-7,12-13H,2-4,8-11H2,1H3.
What are the key properties of 3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one?
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 314.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 110333427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).