diethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate

C14H19NO4S — CID 139915584

IUPACdiethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate
SMILESCCOC(=O)C1=C2SC(C(=O)OCC)=C(C)N2CCC1
InChIInChI=1S/C14H19NO4S/c1-4-18-13(16)10-7-6-8-15-9(3)11(20-12(10)15)14(17)19-5-2/h4-8H2,1-3H3
InChIKeyRSHUHXWDOIEWHD-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.40
Rot. Bonds4

About diethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate

diethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate (PubChem CID 139915584) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is diethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate
PubChem CID139915584
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namediethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate
SMILESCCOC(=O)C1=C2SC(C(=O)OCC)=C(C)N2CCC1
InChIInChI=1S/C14H19NO4S/c1-4-18-13(16)10-7-6-8-15-9(3)11(20-12(10)15)14(17)19-5-2/h4-8H2,1-3H3
InChIKeyRSHUHXWDOIEWHD-UHFFFAOYSA-N
XLogP2.40
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 59600157
ethyl 2-iodocyclohexene-1-carboxylate
CID 11065817
ethyl 2-aminocyclopropene-1-carboxylate
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CID 10853204
ethyl 2-(propan-2-ylamino)cyclohexene-1-carboxylate
CID 15275325
1-O,2-O-diethyl 4-O,5-O-dimethyl cyclohexa-1,4-diene-1,2,4,5-tetracarboxylate
CID 134086921
ethyl 2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxylate
CID 154663343
ethyl 5-methyl-2,3-dihydrothiophene-4-carboxylate
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diethyl 2,6-diethoxy-1,4-dihydropyridine-3,5-dicarboxylate
CID 66922689
ethyl 2-amino-1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrole-3-carboxylate
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ethyl 2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxylate
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Frequently Asked Questions

What is the IUPAC name of diethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate?
The IUPAC name of diethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate (CID 139915584) is diethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate.
What is the SMILES notation for diethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate?
The canonical SMILES for diethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate is CCOC(=O)C1=C2SC(C(=O)OCC)=C(C)N2CCC1.
What is the InChIKey of diethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate?
The InChIKey is RSHUHXWDOIEWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-4-18-13(16)10-7-6-8-15-9(3)11(20-12(10)15)14(17)19-5-2/h4-8H2,1-3H3.
What are the key properties of diethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate?
diethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate has a molecular weight of 297.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-methyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-2,8-dicarboxylate is sourced from PubChem (CID 139915584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).