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

C13H20N2O3S — CID 79364480

IUPACethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCC1CCCOC1
InChIInChI=1S/C13H20N2O3S/c1-3-18-13(16)11-9(2)15-19-12(11)14-7-10-5-4-6-17-8-10/h10,14H,3-8H2,1-2H3
InChIKeyPAQXPNWYHIVGNA-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.47
Rot. Bonds5

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

ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate (PubChem CID 79364480) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate
PubChem CID79364480
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Nameethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCC1CCCOC1
InChIInChI=1S/C13H20N2O3S/c1-3-18-13(16)11-9(2)15-19-12(11)14-7-10-5-4-6-17-8-10/h10,14H,3-8H2,1-2H3
InChIKeyPAQXPNWYHIVGNA-UHFFFAOYSA-N
XLogP2.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate (CID 79364480) is ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NCC1CCCOC1.
What is the InChIKey of ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is PAQXPNWYHIVGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-18-13(16)11-9(2)15-19-12(11)14-7-10-5-4-6-17-8-10/h10,14H,3-8H2,1-2H3.
What are the key properties of ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(oxan-3-ylmethylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79364480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).