2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole

C18H24N2OS — CID 97422425

IUPAC2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCO[C@@H]1CCN(Cc2nccs2)C[C@@H]1Cc1cccc(C)c1
InChIInChI=1S/C18H24N2OS/c1-14-4-3-5-15(10-14)11-16-12-20(8-6-17(16)21-2)13-18-19-7-9-22-18/h3-5,7,9-10,16-17H,6,8,11-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyRKZLCRJSTNEONC-DLBZAZTESA-N
MW316.47 g/mol
LogP3.53
Rot. Bonds5

About 2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole

2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 97422425) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID97422425
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCO[C@@H]1CCN(Cc2nccs2)C[C@@H]1Cc1cccc(C)c1
InChIInChI=1S/C18H24N2OS/c1-14-4-3-5-15(10-14)11-16-12-20(8-6-17(16)21-2)13-18-19-7-9-22-18/h3-5,7,9-10,16-17H,6,8,11-13H2,1-2H3/t16-,17+/m0/s1
InChIKeyRKZLCRJSTNEONC-DLBZAZTESA-N
XLogP3.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-[[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 97422773
5-fluoro-2-[(3R,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]pyrimidine
CID 124792919
3-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-5-methyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155835426
(3S,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 97422444
(3R,4R)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 125219843
[(3R,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124795000
2-[(3S,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]pyrimidine;2,2,2-trifluoroacetic acid
CID 155854798
[(3S,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 97422757
3-[[(3R,4S)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 124797918
[(3R,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 125230007
(3S,4S)-4-methoxy-N,N-dimethyl-3-[(3-methylphenyl)methyl]piperidine-1-sulfonamide
CID 97477037
4-[[(3R,4R)-3-benzyl-4-methoxypiperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124793779

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole (CID 97422425) is 2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is CO[C@@H]1CCN(Cc2nccs2)C[C@@H]1Cc1cccc(C)c1.
What is the InChIKey of 2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is RKZLCRJSTNEONC-DLBZAZTESA-N. The full InChI is InChI=1S/C18H24N2OS/c1-14-4-3-5-15(10-14)11-16-12-20(8-6-17(16)21-2)13-18-19-7-9-22-18/h3-5,7,9-10,16-17H,6,8,11-13H2,1-2H3/t16-,17+/m0/s1.
What are the key properties of 2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole?
2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 316.47 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97422425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).