[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine

C11H19N3S — CID 98085621

IUPAC[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
SMILESC[C@H](c1nccs1)N1CCC[C@@H](CN)C1
InChIInChI=1S/C11H19N3S/c1-9(11-13-4-6-15-11)14-5-2-3-10(7-12)8-14/h4,6,9-10H,2-3,5,7-8,12H2,1H3/t9-,10+/m1/s1
InChIKeyVNCJIMQMOZVXLJ-ZJUUUORDSA-N
MW225.36 g/mol
LogP1.87
Rot. Bonds3

About [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine

[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine (PubChem CID 98085621) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
PubChem CID98085621
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
SMILESC[C@H](c1nccs1)N1CCC[C@@H](CN)C1
InChIInChI=1S/C11H19N3S/c1-9(11-13-4-6-15-11)14-5-2-3-10(7-12)8-14/h4,6,9-10H,2-3,5,7-8,12H2,1H3/t9-,10+/m1/s1
InChIKeyVNCJIMQMOZVXLJ-ZJUUUORDSA-N
XLogP1.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanol
CID 86324532
N-methyl-1-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
CID 64991097
(3S)-1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 71637692
(3R)-N-methyl-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-amine
CID 129427482
2-[1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)ethyl]-1,3-thiazole
CID 79939420
(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 96925793
(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-ol
CID 86329851
1-[1-[1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80552809
2-[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]ethanamine
CID 64990640
2-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-thiazole
CID 66211376
2-[1-(3-phenyl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
CID 64949839
[1-[1-(4-tert-butylphenyl)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915816

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine (CID 98085621) is [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine is C[C@H](c1nccs1)N1CCC[C@@H](CN)C1.
What is the InChIKey of [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine?
The InChIKey is VNCJIMQMOZVXLJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(11-13-4-6-15-11)14-5-2-3-10(7-12)8-14/h4,6,9-10H,2-3,5,7-8,12H2,1H3/t9-,10+/m1/s1.
What are the key properties of [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine?
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine has a molecular weight of 225.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 98085621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).