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

C12H16N2O3S — CID 126482791

IUPACmethyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)sc1N1CCOCC1
InChIInChI=1S/C12H16N2O3S/c1-16-12(15)9-11(14-4-6-17-7-5-14)18-10(13-9)8-2-3-8/h8H,2-7H2,1H3
InChIKeyRNENBCFQWQFZMP-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.64
Rot. Bonds3

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

methyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (PubChem CID 126482791) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is methyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
PubChem CID126482791
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Namemethyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(C2CC2)sc1N1CCOCC1
InChIInChI=1S/C12H16N2O3S/c1-16-12(15)9-11(14-4-6-17-7-5-14)18-10(13-9)8-2-3-8/h8H,2-7H2,1H3
InChIKeyRNENBCFQWQFZMP-UHFFFAOYSA-N
XLogP1.64
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US10752598, Example 14
CID 126482862
US11390631, Example 335
CID 126482463
US11390631, Example 455
CID 126482627
Methyl 2-bromo-5-morpholinothiazole-4-carboxylate
CID 126482676
US11390631, Example 272
CID 126483334
Ethyl 2-methyl-5-(methylamino)thiazole-4-carboxylate
CID 14616139
methyl 5-[(3R)-3-ethylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 117834413
Ethyl 2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 126482668
Ethyl 5-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 134461662
Ethyl 5-morpholin-4-yl-2-[3-(trifluoromethyl)cyclobutyl]-1,3-thiazole-4-carboxylate
CID 135324456
ethyl 5-[(1S)-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 138737011
Ethane;ethyl 5-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 142552761

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate (CID 126482791) is methyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(C2CC2)sc1N1CCOCC1.
What is the InChIKey of methyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
The InChIKey is RNENBCFQWQFZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-16-12(15)9-11(14-4-6-17-7-5-14)18-10(13-9)8-2-3-8/h8H,2-7H2,1H3.
What are the key properties of methyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate?
methyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate has a molecular weight of 268.34 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126482791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).