[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C19H22N2O2S — CID 95778814

IUPAC[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1csc([C@@H]2CCCN(C(=O)[C@@H]3COc4ccccc4C3)C2)n1
InChIInChI=1S/C19H22N2O2S/c1-13-12-24-18(20-13)15-6-4-8-21(10-15)19(22)16-9-14-5-2-3-7-17(14)23-11-16/h2-3,5,7,12,15-16H,4,6,8-11H2,1H3/t15-,16+/m1/s1
InChIKeyXAQKRZKODJJPPL-CVEARBPZSA-N
MW342.46 g/mol
LogP3.41
Rot. Bonds2

About [(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95778814) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is [(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID95778814
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1csc([C@@H]2CCCN(C(=O)[C@@H]3COc4ccccc4C3)C2)n1
InChIInChI=1S/C19H22N2O2S/c1-13-12-24-18(20-13)15-6-4-8-21(10-15)19(22)16-9-14-5-2-3-7-17(14)23-11-16/h2-3,5,7,12,15-16H,4,6,8-11H2,1H3/t15-,16+/m1/s1
InChIKeyXAQKRZKODJJPPL-CVEARBPZSA-N
XLogP3.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95761165
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734429
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514506
(3R)-1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidine-3-carboxylic acid
CID 81126614
[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95779008
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916
(4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95778865
[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95778914
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
1-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 95778905
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 97148569
(3-methylfuran-2-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768617

Frequently Asked Questions

What is the IUPAC name of [(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 95778814) is [(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3COc4ccccc4C3)C2)n1.
What is the InChIKey of [(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is XAQKRZKODJJPPL-CVEARBPZSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-13-12-24-18(20-13)15-6-4-8-21(10-15)19(22)16-9-14-5-2-3-7-17(14)23-11-16/h2-3,5,7,12,15-16H,4,6,8-11H2,1H3/t15-,16+/m1/s1.
What are the key properties of [(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 342.46 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95778814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).