[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone

C13H19N3O2S — CID 124699789

IUPAC[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
SMILESN[C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](c3nccs3)C2)C1
InChIInChI=1S/C13H19N3O2S/c14-10-2-1-9(7-10)13(17)16-4-5-18-11(8-16)12-15-3-6-19-12/h3,6,9-11H,1-2,4-5,7-8,14H2/t9-,10-,11-/m1/s1
InChIKeyBTIYFBZHFMGJIJ-GMTAPVOTSA-N
MW281.38 g/mol
LogP1.17
Rot. Bonds2

About [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone

[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 124699789) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
PubChem CID124699789
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
SMILESN[C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](c3nccs3)C2)C1
InChIInChI=1S/C13H19N3O2S/c14-10-2-1-9(7-10)13(17)16-4-5-18-11(8-16)12-15-3-6-19-12/h3,6,9-11H,1-2,4-5,7-8,14H2/t9-,10-,11-/m1/s1
InChIKeyBTIYFBZHFMGJIJ-GMTAPVOTSA-N
XLogP1.17
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,3R)-3-aminocyclopentyl]-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 125119764
(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124832131
(3-amino-2-bicyclo[2.2.1]heptanyl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 119874237
(3-aminocyclopentyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757298
N-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone
CID 125135358
(5-methyl-1,3-oxazol-2-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154738404
(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119873463
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
(2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124624197
N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 167965443
6-cyclopropyl-3-[2-(1,3-thiazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 136563727

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone (CID 124699789) is [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone is N[C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](c3nccs3)C2)C1.
What is the InChIKey of [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is BTIYFBZHFMGJIJ-GMTAPVOTSA-N. The full InChI is InChI=1S/C13H19N3O2S/c14-10-2-1-9(7-10)13(17)16-4-5-18-11(8-16)12-15-3-6-19-12/h3,6,9-11H,1-2,4-5,7-8,14H2/t9-,10-,11-/m1/s1.
What are the key properties of [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone?
[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 281.38 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124699789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).