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

C12H18N2O3S — CID 59408763

IUPACethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)C2CCCCO2)s1
InChIInChI=1S/C12H18N2O3S/c1-3-16-11(15)9-8-13-12(18-9)14(2)10-6-4-5-7-17-10/h8,10H,3-7H2,1-2H3
InChIKeyZTNGOKGNAJHHNP-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.28
Rot. Bonds4

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

ethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 59408763) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID59408763
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N(C)C2CCCCO2)s1
InChIInChI=1S/C12H18N2O3S/c1-3-16-11(15)9-8-13-12(18-9)14(2)10-6-4-5-7-17-10/h8,10H,3-7H2,1-2H3
InChIKeyZTNGOKGNAJHHNP-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate (CID 59408763) is ethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(N(C)C2CCCCO2)s1.
What is the InChIKey of ethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is ZTNGOKGNAJHHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-3-16-11(15)9-8-13-12(18-9)14(2)10-6-4-5-7-17-10/h8,10H,3-7H2,1-2H3.
What are the key properties of ethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate?
ethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(oxan-2-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59408763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).