methyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate

C10H14N2O3S — CID 126483334

IUPACmethyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1N1CCOCC1
InChIInChI=1S/C10H14N2O3S/c1-7-11-8(10(13)14-2)9(16-7)12-3-5-15-6-4-12/h3-6H2,1-2H3
InChIKeyDFOLPQPILMTTCO-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.07
Rot. Bonds2

About methyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate

methyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (PubChem CID 126483334) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
PubChem CID126483334
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemethyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C)sc1N1CCOCC1
InChIInChI=1S/C10H14N2O3S/c1-7-11-8(10(13)14-2)9(16-7)12-3-5-15-6-4-12/h3-6H2,1-2H3
InChIKeyDFOLPQPILMTTCO-UHFFFAOYSA-N
XLogP1.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-amino-2-methylthiazole-4-carboxylate
CID 13329095
US10752598, Example 14
CID 126482862
US11390631, Example 406
CID 126482445
US11390631, Example 335
CID 126482463
US11390631, Example 455
CID 126482627
Methyl 2-bromo-5-morpholinothiazole-4-carboxylate
CID 126482676
Ethyl 5-amino-2-(1-aminoethyl)-1,3-thiazole-4-carboxylate dihydrochloride
CID 138006954
Ethyl 2-methyl-5-(methylamino)thiazole-4-carboxylate
CID 14616139
5-Amino-2-(2-methoxy-ethyl)-thiazole-4-carboxylic acid ethyl ester
CID 68407298
methyl 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726179
Methyl 5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726180
methyl 5-[(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726366

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (CID 126483334) is methyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C)sc1N1CCOCC1.
What is the InChIKey of methyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The InChIKey is DFOLPQPILMTTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7-11-8(10(13)14-2)9(16-7)12-3-5-15-6-4-12/h3-6H2,1-2H3.
What are the key properties of methyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
methyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126483334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).