diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate

C10H14N2O4S — CID 27277044

IUPACdiethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate
SMILESCCOC(=O)c1nc(NC)sc1C(=O)OCC
InChIInChI=1S/C10H14N2O4S/c1-4-15-8(13)6-7(9(14)16-5-2)17-10(11-3)12-6/h4-5H2,1-3H3,(H,11,12)
InChIKeyMQDCKWGKYRVXLH-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.54
Rot. Bonds5

About diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate

diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate (PubChem CID 27277044) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate
PubChem CID27277044
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Namediethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate
SMILESCCOC(=O)c1nc(NC)sc1C(=O)OCC
InChIInChI=1S/C10H14N2O4S/c1-4-15-8(13)6-7(9(14)16-5-2)17-10(11-3)12-6/h4-5H2,1-3H3,(H,11,12)
InChIKeyMQDCKWGKYRVXLH-UHFFFAOYSA-N
XLogP1.54
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
CID 20788327
diethyl 2-chloro-1,3-thiazole-4,5-dicarboxylate
CID 15009545
bis(diethyl 2-amino-1,3-thiazole-4,5-dicarboxylate);hydrate
CID 139067638
diethyl 2-ethynyl-1,3-thiazole-4,5-dicarboxylate
CID 86609815
5-O-ethyl 4-O-methyl 2-amino-1,3-thiazole-4,5-dicarboxylate
CID 88820286
ethyl 2-methyl-4-(methylamino)-1,3-thiazole-5-carboxylate
CID 67428223
propyl 4-amino-2-(methylamino)-1,3-thiazole-5-carboxylate
CID 116674040
ethyl 5-acetyl-2-(2,2-difluoroethylamino)-1,3-thiazole-4-carboxylate
CID 107378177
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
ethyl 5-acetyl-2-[(5-amino-5-oxopentyl)amino]-1,3-thiazole-4-carboxylate
CID 106241485
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-(methylamino)-4-oxo-1,3-thiazine-6-carboxylate
CID 139237272

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate?
The IUPAC name of diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate (CID 27277044) is diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate.
What is the SMILES notation for diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate?
The canonical SMILES for diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate is CCOC(=O)c1nc(NC)sc1C(=O)OCC.
What is the InChIKey of diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate?
The InChIKey is MQDCKWGKYRVXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-4-15-8(13)6-7(9(14)16-5-2)17-10(11-3)12-6/h4-5H2,1-3H3,(H,11,12).
What are the key properties of diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate?
diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate has a molecular weight of 258.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(methylamino)-1,3-thiazole-4,5-dicarboxylate is sourced from PubChem (CID 27277044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).