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

C16H18FN3OS — CID 124593980

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
SMILESN[C@@H]1CCCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1
InChIInChI=1S/C16H18FN3OS/c17-12-5-3-11(4-6-12)8-15-19-9-14(22-15)16(21)20-7-1-2-13(18)10-20/h3-6,9,13H,1-2,7-8,10,18H2/t13-/m1/s1
InChIKeyUMLYMTANAPKLDF-CYBMUJFWSA-N
MW319.40 g/mol
LogP2.44
Rot. Bonds3

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

[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone (PubChem CID 124593980) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
PubChem CID124593980
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
SMILESN[C@@H]1CCCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1
InChIInChI=1S/C16H18FN3OS/c17-12-5-3-11(4-6-12)8-15-19-9-14(22-15)16(21)20-7-1-2-13(18)10-20/h3-6,9,13H,1-2,7-8,10,18H2/t13-/m1/s1
InChIKeyUMLYMTANAPKLDF-CYBMUJFWSA-N
XLogP2.44
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
CID 95167865
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124611845
(3R)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 125147777
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 120818932
1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355806
[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124694697
(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride
CID 119377231
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 102983529
(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 119380053
(2-ethyl-1,3-thiazol-5-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110907783
(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride
CID 119377484
[(3S)-3-aminopiperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 124628175

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone (CID 124593980) is [(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone is N[C@@H]1CCCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone?
The InChIKey is UMLYMTANAPKLDF-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18FN3OS/c17-12-5-3-11(4-6-12)8-15-19-9-14(22-15)16(21)20-7-1-2-13(18)10-20/h3-6,9,13H,1-2,7-8,10,18H2/t13-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone has a molecular weight of 319.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 124593980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).