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

C14H25Cl2N3O2S — CID 120940497

IUPAC(2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESCCc1nc(CCNC(=O)[C@H]2NCCO[C@@H]2C)sc1C.Cl.Cl
InChIInChI=1S/C14H23N3O2S.2ClH/c1-4-11-10(3)20-12(17-11)5-6-16-14(18)13-9(2)19-8-7-15-13;;/h9,13,15H,4-8H2,1-3H3,(H,16,18);2*1H/t9-,13+;;/m1../s1
InChIKeyGFRNLWSDPYLCOX-OIYPRRECSA-N
MW370.35 g/mol
LogP1.89
Rot. Bonds5

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

(2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120940497) has the molecular formula C14H25Cl2N3O2S and a molecular weight of 370.35 g/mol. Its IUPAC name is (2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120940497
Molecular FormulaC14H25Cl2N3O2S
Molecular Weight370.35 g/mol
Exact Mass369.10
IUPAC Name(2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESCCc1nc(CCNC(=O)[C@H]2NCCO[C@@H]2C)sc1C.Cl.Cl
InChIInChI=1S/C14H23N3O2S.2ClH/c1-4-11-10(3)20-12(17-11)5-6-16-14(18)13-9(2)19-8-7-15-13;;/h9,13,15H,4-8H2,1-3H3,(H,16,18);2*1H/t9-,13+;;/m1../s1
InChIKeyGFRNLWSDPYLCOX-OIYPRRECSA-N
XLogP1.89
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[2-(ethylsulfonylamino)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924338
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120927296
(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120918381
(2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937480
(2R,3S)-N-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931321
(2R,3S)-N-[2-(2-chlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921534
(2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120936021
(2R,3S)-N-[2-(2,6-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120924153
(2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918311
(2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide
CID 120941910

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (CID 120940497) is (2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is CCc1nc(CCNC(=O)[C@H]2NCCO[C@@H]2C)sc1C.Cl.Cl.
What is the InChIKey of (2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is GFRNLWSDPYLCOX-OIYPRRECSA-N. The full InChI is InChI=1S/C14H23N3O2S.2ClH/c1-4-11-10(3)20-12(17-11)5-6-16-14(18)13-9(2)19-8-7-15-13;;/h9,13,15H,4-8H2,1-3H3,(H,16,18);2*1H/t9-,13+;;/m1../s1.
What are the key properties of (2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 370.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120940497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).