(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C11H17N3OS — CID 119873347

IUPAC(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C11H17N3OS/c1-8(12)11(15)14-5-2-9(3-6-14)10-13-4-7-16-10/h4,7-9H,2-3,5-6,12H2,1H3/t8-/m1/s1
InChIKeyKRYLZBNXERBEMF-MRVPVSSYSA-N
MW239.34 g/mol
LogP1.20
Rot. Bonds2

About (2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 119873347) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID119873347
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C11H17N3OS/c1-8(12)11(15)14-5-2-9(3-6-14)10-13-4-7-16-10/h4,7-9H,2-3,5-6,12H2,1H3/t8-/m1/s1
InChIKeyKRYLZBNXERBEMF-MRVPVSSYSA-N
XLogP1.20
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119873434
(2S)-2,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]pent-4-en-1-one
CID 124728518
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
2-(4-fluorophenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110313552
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
2-(4-methoxyphenyl)-3-methyl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110313553
N-[(2S)-1-ethylsulfonylpropan-2-yl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 124885278
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten
CID 59496771
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120799663
(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289762

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 119873347) is (2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCC(c2nccs2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is KRYLZBNXERBEMF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(12)11(15)14-5-2-9(3-6-14)10-13-4-7-16-10/h4,7-9H,2-3,5-6,12H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 239.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119873347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).