[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone

C19H24FN3OS — CID 51596746

IUPAC[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCCC[C@@H]1CN(C)C
InChIInChI=1S/C19H24FN3OS/c1-13-17(25-18(21-13)14-7-9-15(20)10-8-14)19(24)23-11-5-4-6-16(23)12-22(2)3/h7-10,16H,4-6,11-12H2,1-3H3/t16-/m1/s1
InChIKeyMCWYGHPIAQXAHX-MRXNPFEDSA-N
MW361.49 g/mol
LogP3.81
Rot. Bonds4

About [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone

[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone (PubChem CID 51596746) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
PubChem CID51596746
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCCC[C@@H]1CN(C)C
InChIInChI=1S/C19H24FN3OS/c1-13-17(25-18(21-13)14-7-9-15(20)10-8-14)19(24)23-11-5-4-6-16(23)12-22(2)3/h7-10,16H,4-6,11-12H2,1-3H3/t16-/m1/s1
InChIKeyMCWYGHPIAQXAHX-MRXNPFEDSA-N
XLogP3.81
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537550
(2R)-1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide
CID 39309690
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
[2-(aminomethyl)pyrrolidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 119631136
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 53031125
(2R)-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 93061147
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513208
[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 96564131
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651049
[2-[(2S)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8647471
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94095663

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The IUPAC name of [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone (CID 51596746) is [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone is Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCCC[C@@H]1CN(C)C.
What is the InChIKey of [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The InChIKey is MCWYGHPIAQXAHX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-13-17(25-18(21-13)14-7-9-15(20)10-8-14)19(24)23-11-5-4-6-16(23)12-22(2)3/h7-10,16H,4-6,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 51596746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).