ethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate

C9H14N2O2S — CID 10798688

IUPACethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)C)sc1C
InChIInChI=1S/C9H14N2O2S/c1-5-13-8(12)7-6(2)14-9(10-7)11(3)4/h5H2,1-4H3
InChIKeyKAENKBTWIWYRRA-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.69
Rot. Bonds3

About ethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate

ethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 10798688) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID10798688
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Nameethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)C)sc1C
InChIInChI=1S/C9H14N2O2S/c1-5-13-8(12)7-6(2)14-9(10-7)11(3)4/h5H2,1-4H3
InChIKeyKAENKBTWIWYRRA-UHFFFAOYSA-N
XLogP1.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate (CID 10798688) is ethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N(C)C)sc1C.
What is the InChIKey of ethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is KAENKBTWIWYRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-5-13-8(12)7-6(2)14-9(10-7)11(3)4/h5H2,1-4H3.
What are the key properties of ethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 214.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 10798688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).