ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate

C11H18N2O2S2 — CID 116527071

IUPACethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)CCSC)sc1C
InChIInChI=1S/C11H18N2O2S2/c1-5-15-10(14)9-8(2)17-11(12-9)13(3)6-7-16-4/h5-7H2,1-4H3
InChIKeyUYZLKIUSGPPMJA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.43
Rot. Bonds6

About ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 116527071) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID116527071
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Nameethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)CCSC)sc1C
InChIInChI=1S/C11H18N2O2S2/c1-5-15-10(14)9-8(2)17-11(12-9)13(3)6-7-16-4/h5-7H2,1-4H3
InChIKeyUYZLKIUSGPPMJA-UHFFFAOYSA-N
XLogP2.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate (CID 116527071) is ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N(C)CCSC)sc1C.
What is the InChIKey of ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is UYZLKIUSGPPMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-5-15-10(14)9-8(2)17-11(12-9)13(3)6-7-16-4/h5-7H2,1-4H3.
What are the key properties of ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 274.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116527071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).