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

C8H12N2O2S — CID 4820961

IUPACethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC)nc1C
InChIInChI=1S/C8H12N2O2S/c1-4-12-7(11)6-5(2)10-8(9-3)13-6/h4H2,1-3H3,(H,9,10)
InChIKeyIBNKTVVCYGHPGD-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.67
Rot. Bonds3

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

ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate (PubChem CID 4820961) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
PubChem CID4820961
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC)nc1C
InChIInChI=1S/C8H12N2O2S/c1-4-12-7(11)6-5(2)10-8(9-3)13-6/h4H2,1-3H3,(H,9,10)
InChIKeyIBNKTVVCYGHPGD-UHFFFAOYSA-N
XLogP1.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate (CID 4820961) is ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is IBNKTVVCYGHPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-4-12-7(11)6-5(2)10-8(9-3)13-6/h4H2,1-3H3,(H,9,10).
What are the key properties of ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 4820961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).