[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C19H21FN2OS — CID 95778914

IUPAC[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3ccccc3F)C2)n1
InChIInChI=1S/C19H21FN2OS/c1-12-11-24-18(21-12)13-5-4-8-22(10-13)19(23)16-9-15(16)14-6-2-3-7-17(14)20/h2-3,6-7,11,13,15-16H,4-5,8-10H2,1H3/t13-,15-,16+/m1/s1
InChIKeyVUTUWMYMQLCZQA-BMFZPTHFSA-N
MW344.45 g/mol
LogP4.10
Rot. Bonds3

About [(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95778914) has the molecular formula C19H21FN2OS and a molecular weight of 344.45 g/mol. Its IUPAC name is [(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID95778914
Molecular FormulaC19H21FN2OS
Molecular Weight344.45 g/mol
Exact Mass344.14
IUPAC Name[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3ccccc3F)C2)n1
InChIInChI=1S/C19H21FN2OS/c1-12-11-24-18(21-12)13-5-4-8-22(10-13)19(23)16-9-15(16)14-6-2-3-7-17(14)20/h2-3,6-7,11,13,15-16H,4-5,8-10H2,1H3/t13-,15-,16+/m1/s1
InChIKeyVUTUWMYMQLCZQA-BMFZPTHFSA-N
XLogP4.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129426974
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129426975
[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]methanone
CID 95736983
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95778814
[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95779008
2-(2,5-difluorophenyl)-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95779150
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119873384
(4R)-1-(cyclopropylmethyl)-4-[(3S)-3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95778865
[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776393
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 129461309
(3-methylfuran-2-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768617
[(1S,2R)-2-(2-chlorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 129427272

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 95778914) is [(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is Cc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3ccccc3F)C2)n1.
What is the InChIKey of [(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is VUTUWMYMQLCZQA-BMFZPTHFSA-N. The full InChI is InChI=1S/C19H21FN2OS/c1-12-11-24-18(21-12)13-5-4-8-22(10-13)19(23)16-9-15(16)14-6-2-3-7-17(14)20/h2-3,6-7,11,13,15-16H,4-5,8-10H2,1H3/t13-,15-,16+/m1/s1.
What are the key properties of [(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 344.45 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95778914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).