[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone

C17H20FN3OS — CID 124694697

IUPAC[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
SMILESC[C@H]1C[C@H](N)CCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H20FN3OS/c1-11-8-14(19)6-7-21(11)17(22)15-10-20-16(23-15)9-12-2-4-13(18)5-3-12/h2-5,10-11,14H,6-9,19H2,1H3/t11-,14+/m0/s1
InChIKeyAKKZWMHKOQAPGA-SMDDNHRTSA-N
MW333.43 g/mol
LogP2.82
Rot. Bonds3

About [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone

[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone (PubChem CID 124694697) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
PubChem CID124694697
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC Name[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
SMILESC[C@H]1C[C@H](N)CCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H20FN3OS/c1-11-8-14(19)6-7-21(11)17(22)15-10-20-16(23-15)9-12-2-4-13(18)5-3-12/h2-5,10-11,14H,6-9,19H2,1H3/t11-,14+/m0/s1
InChIKeyAKKZWMHKOQAPGA-SMDDNHRTSA-N
XLogP2.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124593980
1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355806
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 120818932
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124611845
(4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 113435999
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124694495
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124690018
(3R)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 125147777
(3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
CID 95167865
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-benzyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119597371
2-[(4-fluorophenyl)methyl]-N-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-1,3-thiazole-5-carboxamide
CID 99809689
2-[(4-fluorophenyl)methyl]-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 102557724

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone?
The IUPAC name of [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone (CID 124694697) is [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone is C[C@H]1C[C@H](N)CCN1C(=O)c1cnc(Cc2ccc(F)cc2)s1.
What is the InChIKey of [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone?
The InChIKey is AKKZWMHKOQAPGA-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H20FN3OS/c1-11-8-14(19)6-7-21(11)17(22)15-10-20-16(23-15)9-12-2-4-13(18)5-3-12/h2-5,10-11,14H,6-9,19H2,1H3/t11-,14+/m0/s1.
What are the key properties of [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone?
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone has a molecular weight of 333.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 124694697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).