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

C12H18N2O3S — CID 116527049

IUPACethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)C2CCOC2)sc1C
InChIInChI=1S/C12H18N2O3S/c1-4-17-11(15)10-8(2)18-12(13-10)14(3)9-5-6-16-7-9/h9H,4-7H2,1-3H3
InChIKeyCSERPYQHDKEZLG-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.85
Rot. Bonds4

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

ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 116527049) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
PubChem CID116527049
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)C2CCOC2)sc1C
InChIInChI=1S/C12H18N2O3S/c1-4-17-11(15)10-8(2)18-12(13-10)14(3)9-5-6-16-7-9/h9H,4-7H2,1-3H3
InChIKeyCSERPYQHDKEZLG-UHFFFAOYSA-N
XLogP1.85
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methyl-2-[methyl-(4-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 116526736
methyl 5-acetyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106697962
ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 116526701
ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate
CID 116526687
ethyl 2-[1-cyclopropylethyl(methyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526532
methyl 5-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazole-4-carboxylate
CID 115423333
5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82753856
ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526609
ethyl 5-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 116526836
ethyl 5-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 116526729
5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754917
ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate
CID 116527071

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate (CID 116527049) is ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N(C)C2CCOC2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is CSERPYQHDKEZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-17-11(15)10-8(2)18-12(13-10)14(3)9-5-6-16-7-9/h9H,4-7H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.85, 4 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(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116527049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).