(2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride

C14H23Cl2N3O2S — CID 120800829

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)NC2(c3nccs3)CCCC2)O1
InChIInChI=1S/C14H21N3O2S.2ClH/c15-9-10-3-4-11(19-10)12(18)17-14(5-1-2-6-14)13-16-7-8-20-13;;/h7-8,10-11H,1-6,9,15H2,(H,17,18);2*1H/t10-,11+;;/m1../s1
InChIKeyUHHGXYYETRTWBH-OXPNAJOUSA-N
MW368.33 g/mol
LogP2.38
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride (PubChem CID 120800829) has the molecular formula C14H23Cl2N3O2S and a molecular weight of 368.33 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride
PubChem CID120800829
Molecular FormulaC14H23Cl2N3O2S
Molecular Weight368.33 g/mol
Exact Mass367.09
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)NC2(c3nccs3)CCCC2)O1
InChIInChI=1S/C14H21N3O2S.2ClH/c15-9-10-3-4-11(19-10)12(18)17-14(5-1-2-6-14)13-16-7-8-20-13;;/h7-8,10-11H,1-6,9,15H2,(H,17,18);2*1H/t10-,11+;;/m1../s1
InChIKeyUHHGXYYETRTWBH-OXPNAJOUSA-N
XLogP2.38
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(1-phenylcyclopentyl)oxolane-2-carboxamide;hydrochloride
CID 120793343
(2S,5R)-5-(aminomethyl)-N-[1-(4-fluorophenyl)cyclopropyl]oxolane-2-carboxamide;hydrochloride
CID 120792179
(2S,5R)-5-(aminomethyl)-N-[1-(3-bromophenyl)cyclobutyl]oxolane-2-carboxamide
CID 120789412
(2S,5R)-5-(aminomethyl)-N-(1-ethylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120793811
methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 120785387
2-(2-aminoethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647122
methyl 1-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]cyclopentane-1-carboxylate
CID 120785620
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 120798506
(2S,5R)-5-(aminomethyl)-N-(1-benzylcyclobutyl)oxolane-2-carboxamide;hydrochloride
CID 120795417
2-amino-N-[1-(1,3-thiazol-2-yl)cyclopentyl]pentanamide
CID 119890159
(2S,5R)-5-(aminomethyl)-N-[(1-thiophen-2-ylcyclohexyl)methyl]oxolane-2-carboxamide
CID 120794566
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120799663

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride (CID 120800829) is (2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride is Cl.Cl.NC[C@H]1CC[C@@H](C(=O)NC2(c3nccs3)CCCC2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride?
The InChIKey is UHHGXYYETRTWBH-OXPNAJOUSA-N. The full InChI is InChI=1S/C14H21N3O2S.2ClH/c15-9-10-3-4-11(19-10)12(18)17-14(5-1-2-6-14)13-16-7-8-20-13;;/h7-8,10-11H,1-6,9,15H2,(H,17,18);2*1H/t10-,11+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride has a molecular weight of 368.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(1,3-thiazol-2-yl)cyclopentyl]oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120800829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).