N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride

C12H21Cl2N3O2S — CID 119886495

IUPACN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)C2CNCCO2)cs1.Cl.Cl
InChIInChI=1S/C12H19N3O2S.2ClH/c1-3-11-15-9(7-18-11)8(2)14-12(16)10-6-13-4-5-17-10;;/h7-8,10,13H,3-6H2,1-2H3,(H,14,16);2*1H
InChIKeyQCHWDSDTHHHHPR-UHFFFAOYSA-N
MW342.29 g/mol
LogP1.71
Rot. Bonds4

About N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride

N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119886495) has the molecular formula C12H21Cl2N3O2S and a molecular weight of 342.29 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119886495
Molecular FormulaC12H21Cl2N3O2S
Molecular Weight342.29 g/mol
Exact Mass341.07
IUPAC NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)C2CNCCO2)cs1.Cl.Cl
InChIInChI=1S/C12H19N3O2S.2ClH/c1-3-11-15-9(7-18-11)8(2)14-12(16)10-6-13-4-5-17-10;;/h7-8,10,13H,3-6H2,1-2H3,(H,14,16);2*1H
InChIKeyQCHWDSDTHHHHPR-UHFFFAOYSA-N
XLogP1.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 119886508
N-[(1R)-1-pyridin-2-ylethyl]morpholine-2-carboxamide
CID 81407111
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119886487
N-[(1R)-1-thiophen-2-ylethyl]morpholine-2-carboxamide
CID 81408817
N-[(1S)-1-(furan-2-yl)ethyl]morpholine-2-carboxamide
CID 81400797
3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119886493
N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
CID 146426620
N-[1-(2-methylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686063
N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]morpholine-2-carboxamide
CID 119813876
(2R)-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide;hydrochloride
CID 130747951
N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride
CID 119858588

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride (CID 119886495) is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride is CCc1nc(C(C)NC(=O)C2CNCCO2)cs1.Cl.Cl.
What is the InChIKey of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is QCHWDSDTHHHHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S.2ClH/c1-3-11-15-9(7-18-11)8(2)14-12(16)10-6-13-4-5-17-10;;/h7-8,10,13H,3-6H2,1-2H3,(H,14,16);2*1H.
What are the key properties of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride?
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 342.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119886495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).