(2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride

C13H21Cl2N3O2S — CID 120801327

IUPAC(2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)NCc2nc(C3CC3)cs2)O1
InChIInChI=1S/C13H19N3O2S.2ClH/c14-5-9-3-4-11(18-9)13(17)15-6-12-16-10(7-19-12)8-1-2-8;;/h7-9,11H,1-6,14H2,(H,15,17);2*1H/t9-,11+;;/m1../s1
InChIKeyDOLGCXQDIDIHGU-SFGLUTOSSA-N
MW354.30 g/mol
LogP1.99
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride (PubChem CID 120801327) has the molecular formula C13H21Cl2N3O2S and a molecular weight of 354.30 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
PubChem CID120801327
Molecular FormulaC13H21Cl2N3O2S
Molecular Weight354.30 g/mol
Exact Mass353.07
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)NCc2nc(C3CC3)cs2)O1
InChIInChI=1S/C13H19N3O2S.2ClH/c14-5-9-3-4-11(18-9)13(17)15-6-12-16-10(7-19-12)8-1-2-8;;/h7-9,11H,1-6,14H2,(H,15,17);2*1H/t9-,11+;;/m1../s1
InChIKeyDOLGCXQDIDIHGU-SFGLUTOSSA-N
XLogP1.99
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide
CID 120799808
(2S,5R)-5-(aminomethyl)-N-(1,3-benzothiazol-2-ylmethyl)oxolane-2-carboxamide
CID 120784128
5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
CID 114181445
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016376
(2S)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081747
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119897337
2-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 119897334
(2S,5R)-5-(aminomethyl)-N-(naphthalen-1-ylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120786169
7-amino-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]heptanamide
CID 119897286
(2S,5R)-5-(aminomethyl)-N-[(2-bromophenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785931
(2S,5R)-5-(aminomethyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783279
(2S,5R)-5-(aminomethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120785081

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride (CID 120801327) is (2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride is Cl.Cl.NC[C@H]1CC[C@@H](C(=O)NCc2nc(C3CC3)cs2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride?
The InChIKey is DOLGCXQDIDIHGU-SFGLUTOSSA-N. The full InChI is InChI=1S/C13H19N3O2S.2ClH/c14-5-9-3-4-11(18-9)13(17)15-6-12-16-10(7-19-12)8-1-2-8;;/h7-9,11H,1-6,14H2,(H,15,17);2*1H/t9-,11+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride has a molecular weight of 354.30 g/mol, XLogP of 1.99, 5 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-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120801327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).