[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone

C17H22N2OS2 — CID 112789466

IUPAC[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccccc2CSC2=NCCS2)CC1
InChIInChI=1S/C17H22N2OS2/c1-13-6-9-19(10-7-13)16(20)15-5-3-2-4-14(15)12-22-17-18-8-11-21-17/h2-5,13H,6-12H2,1H3
InChIKeyQSSAAFKICRKDFF-UHFFFAOYSA-N
MW334.51 g/mol
LogP3.89
Rot. Bonds3

About [2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone

[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 112789466) has the molecular formula C17H22N2OS2 and a molecular weight of 334.51 g/mol. Its IUPAC name is [2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID112789466
Molecular FormulaC17H22N2OS2
Molecular Weight334.51 g/mol
Exact Mass334.12
IUPAC Name[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccccc2CSC2=NCCS2)CC1
InChIInChI=1S/C17H22N2OS2/c1-13-6-9-19(10-7-13)16(20)15-5-3-2-4-14(15)12-22-17-18-8-11-21-17/h2-5,13H,6-12H2,1H3
InChIKeyQSSAAFKICRKDFF-UHFFFAOYSA-N
XLogP3.89
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanone
CID 112768153
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 7805161
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 11916478
(4-methoxycarbonylphenyl) 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 8961251
[2-(carbamoylamino)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 7805207
N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112765000
N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 8713840
[2-(3-fluorophenyl)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 8676588
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2-phenylpyrimidin-5-yl)benzamide
CID 112803520
[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 55310078
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 2418910
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377

Frequently Asked Questions

What is the IUPAC name of [2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone (CID 112789466) is [2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccccc2CSC2=NCCS2)CC1.
What is the InChIKey of [2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QSSAAFKICRKDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS2/c1-13-6-9-19(10-7-13)16(20)15-5-3-2-4-14(15)12-22-17-18-8-11-21-17/h2-5,13H,6-12H2,1H3.
What are the key properties of [2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 334.51 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 112789466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).