[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C18H20N2O2S — CID 129425363

IUPAC[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESC[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C18H20N2O2S/c1-12-13-6-2-3-8-15(13)22-16(12)18(21)20-10-5-4-7-14(20)17-19-9-11-23-17/h2-3,6,8-9,11-12,14,16H,4-5,7,10H2,1H3/t12-,14+,16+/m1/s1
InChIKeyRTAXNTAUALBUKV-INWMFGNUSA-N
MW328.44 g/mol
LogP3.76
Rot. Bonds2

About [(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 129425363) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is [(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID129425363
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESC[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C18H20N2O2S/c1-12-13-6-2-3-8-15(13)22-16(12)18(21)20-10-5-4-7-14(20)17-19-9-11-23-17/h2-3,6,8-9,11-12,14,16H,4-5,7,10H2,1H3/t12-,14+,16+/m1/s1
InChIKeyRTAXNTAUALBUKV-INWMFGNUSA-N
XLogP3.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-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

[2-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)methanone
CID 86817254
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 99634382
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
(3R)-3-phenyl-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 95770134
(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119873463
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95770198
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613
cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97154928
(2R)-N-(2,6-difluorophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97445838
N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 95770213
(2S)-2-(3-methylphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95774334

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 129425363) is [(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CCCC[C@H]1c1nccs1.
What is the InChIKey of [(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is RTAXNTAUALBUKV-INWMFGNUSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12-13-6-2-3-8-15(13)22-16(12)18(21)20-10-5-4-7-14(20)17-19-9-11-23-17/h2-3,6,8-9,11-12,14,16H,4-5,7,10H2,1H3/t12-,14+,16+/m1/s1.
What are the key properties of [(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 328.44 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-methyl-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129425363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).