dimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate

C9H12N2O4S — CID 135044126

IUPACdimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(N(C)C)sc1C(=O)OC
InChIInChI=1S/C9H12N2O4S/c1-11(2)9-10-5(7(12)14-3)6(16-9)8(13)15-4/h1-4H3
InChIKeyFVUBHQDPFALMEB-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.78
Rot. Bonds3

About dimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate

dimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate (PubChem CID 135044126) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is dimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate
PubChem CID135044126
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Namedimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(N(C)C)sc1C(=O)OC
InChIInChI=1S/C9H12N2O4S/c1-11(2)9-10-5(7(12)14-3)6(16-9)8(13)15-4/h1-4H3
InChIKeyFVUBHQDPFALMEB-UHFFFAOYSA-N
XLogP0.78
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate (CID 135044126) is dimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate is COC(=O)c1nc(N(C)C)sc1C(=O)OC.
What is the InChIKey of dimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate?
The InChIKey is FVUBHQDPFALMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-11(2)9-10-5(7(12)14-3)6(16-9)8(13)15-4/h1-4H3.
What are the key properties of dimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate?
dimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate has a molecular weight of 244.27 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(dimethylamino)-1,3-thiazole-4,5-dicarboxylate is sourced from PubChem (CID 135044126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).