[(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone

C19H24FN3OS — CID 156825768

IUPAC[(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(Nc2nc(C(=O)N3CCC[C@H](C)[C@@H]3C)c(C)s2)c(F)c1
InChIInChI=1S/C19H24FN3OS/c1-11-7-8-16(15(20)10-11)21-19-22-17(14(4)25-19)18(24)23-9-5-6-12(2)13(23)3/h7-8,10,12-13H,5-6,9H2,1-4H3,(H,21,22)/t12-,13-/m0/s1
InChIKeyUYPMKLCXOLGGPC-STQMWFEESA-N
MW361.49 g/mol
LogP4.90
Rot. Bonds3

About [(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone

[(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone (PubChem CID 156825768) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is [(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone
PubChem CID156825768
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name[(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone
SMILESCc1ccc(Nc2nc(C(=O)N3CCC[C@H](C)[C@@H]3C)c(C)s2)c(F)c1
InChIInChI=1S/C19H24FN3OS/c1-11-7-8-16(15(20)10-11)21-19-22-17(14(4)25-19)18(24)23-9-5-6-12(2)13(23)3/h7-8,10,12-13H,5-6,9H2,1-4H3,(H,21,22)/t12-,13-/m0/s1
InChIKeyUYPMKLCXOLGGPC-STQMWFEESA-N
XLogP4.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone (CID 156825768) is [(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone is Cc1ccc(Nc2nc(C(=O)N3CCC[C@H](C)[C@@H]3C)c(C)s2)c(F)c1.
What is the InChIKey of [(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone?
The InChIKey is UYPMKLCXOLGGPC-STQMWFEESA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-11-7-8-16(15(20)10-11)21-19-22-17(14(4)25-19)18(24)23-9-5-6-12(2)13(23)3/h7-8,10,12-13H,5-6,9H2,1-4H3,(H,21,22)/t12-,13-/m0/s1.
What are the key properties of [(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone?
[(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2,3-dimethylpiperidin-1-yl]-[2-(2-fluoro-4-methylanilino)-5-methyl-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 156825768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).