ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride

C12H18ClN3O4S — CID 119672756

IUPACethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
SMILESCCOC(=O)Cc1csc(NC(=O)C2CNCCO2)n1.Cl
InChIInChI=1S/C12H17N3O4S.ClH/c1-2-18-10(16)5-8-7-20-12(14-8)15-11(17)9-6-13-3-4-19-9;/h7,9,13H,2-6H2,1H3,(H,14,15,17);1H
InChIKeyDOLMYRKMHUCTTA-UHFFFAOYSA-N
MW335.81 g/mol
LogP0.60
Rot. Bonds5

About ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride

ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride (PubChem CID 119672756) has the molecular formula C12H18ClN3O4S and a molecular weight of 335.81 g/mol. Its IUPAC name is ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
PubChem CID119672756
Molecular FormulaC12H18ClN3O4S
Molecular Weight335.81 g/mol
Exact Mass335.07
IUPAC Nameethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
SMILESCCOC(=O)Cc1csc(NC(=O)C2CNCCO2)n1.Cl
InChIInChI=1S/C12H17N3O4S.ClH/c1-2-18-10(16)5-8-7-20-12(14-8)15-11(17)9-6-13-3-4-19-9;/h7,9,13H,2-6H2,1H3,(H,14,15,17);1H
InChIKeyDOLMYRKMHUCTTA-UHFFFAOYSA-N
XLogP0.60
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[2-(piperidine-4-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262721
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;dihydrochloride
CID 119840489
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-[2-(2-aminopropanoylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119262725
ethyl 2-[2-(oxan-2-yloxycarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 154753101
ethyl 2-[2-[(1-methylcyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 78909599
ethyl 2-[2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 4098348
ethyl 2-[2-[(4-tert-butylcyclohexanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 46510209
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
CID 43622982
ethyl 2-[2-(3-aminopropanoylamino)-1,3-thiazol-4-yl]acetate
CID 110460282

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride?
The IUPAC name of ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride (CID 119672756) is ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride is CCOC(=O)Cc1csc(NC(=O)C2CNCCO2)n1.Cl.
What is the InChIKey of ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride?
The InChIKey is DOLMYRKMHUCTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S.ClH/c1-2-18-10(16)5-8-7-20-12(14-8)15-11(17)9-6-13-3-4-19-9;/h7,9,13H,2-6H2,1H3,(H,14,15,17);1H.
What are the key properties of ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride?
ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride has a molecular weight of 335.81 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride is sourced from PubChem (CID 119672756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).