[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride

C14H23Cl2N3O2S — CID 120799663

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)N2CCC(c3nccs3)CC2)O1
InChIInChI=1S/C14H21N3O2S.2ClH/c15-9-11-1-2-12(19-11)14(18)17-6-3-10(4-7-17)13-16-5-8-20-13;;/h5,8,10-12H,1-4,6-7,9,15H2;2*1H/t11-,12+;;/m1../s1
InChIKeyGITJDRDIAIXOEX-QBKBNCOFSA-N
MW368.33 g/mol
LogP2.20
Rot. Bonds3

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 120799663) has the molecular formula C14H23Cl2N3O2S and a molecular weight of 368.33 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID120799663
Molecular FormulaC14H23Cl2N3O2S
Molecular Weight368.33 g/mol
Exact Mass367.09
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)N2CCC(c3nccs3)CC2)O1
InChIInChI=1S/C14H21N3O2S.2ClH/c15-9-11-1-2-12(19-11)14(18)17-6-3-10(4-7-17)13-16-5-8-20-13;;/h5,8,10-12H,1-4,6-7,9,15H2;2*1H/t11-,12+;;/m1../s1
InChIKeyGITJDRDIAIXOEX-QBKBNCOFSA-N
XLogP2.20
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 120796954
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120797425
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120795127
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120798416
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120789025
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 120798506
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 120783849
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 120799295

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride (CID 120799663) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride is Cl.Cl.NC[C@H]1CC[C@@H](C(=O)N2CCC(c3nccs3)CC2)O1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is GITJDRDIAIXOEX-QBKBNCOFSA-N. The full InChI is InChI=1S/C14H21N3O2S.2ClH/c15-9-11-1-2-12(19-11)14(18)17-6-3-10(4-7-17)13-16-5-8-20-13;;/h5,8,10-12H,1-4,6-7,9,15H2;2*1H/t11-,12+;;/m1../s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 368.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120799663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).