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

C11H13N3O3S — CID 81173663

IUPACethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCc1ccon1
InChIInChI=1S/C11H13N3O3S/c1-3-16-11(15)9-7(2)14-18-10(9)12-6-8-4-5-17-13-8/h4-5,12H,3,6H2,1-2H3
InChIKeyDFTTVOCYXZVIKZ-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.23
Rot. Bonds5

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

ethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate (PubChem CID 81173663) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is ethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate
PubChem CID81173663
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC Nameethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCc1ccon1
InChIInChI=1S/C11H13N3O3S/c1-3-16-11(15)9-7(2)14-18-10(9)12-6-8-4-5-17-13-8/h4-5,12H,3,6H2,1-2H3
InChIKeyDFTTVOCYXZVIKZ-UHFFFAOYSA-N
XLogP2.23
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate (CID 81173663) is ethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NCc1ccon1.
What is the InChIKey of ethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is DFTTVOCYXZVIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-3-16-11(15)9-7(2)14-18-10(9)12-6-8-4-5-17-13-8/h4-5,12H,3,6H2,1-2H3.
What are the key properties of ethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 267.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 81173663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).