1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one

C12H18N2OS — CID 115090214

IUPAC1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(CC2CCNCC2)s1
InChIInChI=1S/C12H18N2OS/c1-9(15)6-11-8-14-12(16-11)7-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3
InChIKeyGABAFZNODNNQHD-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.82
Rot. Bonds4

About 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one

1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one (PubChem CID 115090214) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
PubChem CID115090214
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(CC2CCNCC2)s1
InChIInChI=1S/C12H18N2OS/c1-9(15)6-11-8-14-12(16-11)7-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3
InChIKeyGABAFZNODNNQHD-UHFFFAOYSA-N
XLogP1.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090240
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115090212
1-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115091092
1-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]propan-2-one
CID 115090064
1-[2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090785
5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 115041812
1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone
CID 115093984
2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 18969291
3-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 115090322
1-[2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-2-methylpropan-1-one
CID 171594182
2-(piperidin-4-ylmethyl)-N-[4-(trifluoromethyl)-1-bicyclo[2.2.1]heptanyl]-1,3-thiazole-5-carboxamide
CID 166286599
1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one
CID 115089794

Frequently Asked Questions

What is the IUPAC name of 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one?
The IUPAC name of 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one (CID 115090214) is 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one is CC(=O)Cc1cnc(CC2CCNCC2)s1.
What is the InChIKey of 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one?
The InChIKey is GABAFZNODNNQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(15)6-11-8-14-12(16-11)7-10-2-4-13-5-3-10/h8,10,13H,2-7H2,1H3.
What are the key properties of 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one?
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one has a molecular weight of 238.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one is sourced from PubChem (CID 115090214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).