ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate

C10H15NO3S — CID 57438572

IUPACethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C)nc1OC(C)C
InChIInChI=1S/C10H15NO3S/c1-5-13-10(12)8-9(14-6(2)3)11-7(4)15-8/h6H,5H2,1-4H3
InChIKeyPRLHCRJPXUQUFD-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.42
Rot. Bonds4

About ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate

ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate (PubChem CID 57438572) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate
PubChem CID57438572
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Nameethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C)nc1OC(C)C
InChIInChI=1S/C10H15NO3S/c1-5-13-10(12)8-9(14-6(2)3)11-7(4)15-8/h6H,5H2,1-4H3
InChIKeyPRLHCRJPXUQUFD-UHFFFAOYSA-N
XLogP2.42
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate (CID 57438572) is ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C)nc1OC(C)C.
What is the InChIKey of ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate?
The InChIKey is PRLHCRJPXUQUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-5-13-10(12)8-9(14-6(2)3)11-7(4)15-8/h6H,5H2,1-4H3.
What are the key properties of ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate?
ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate has a molecular weight of 229.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-propan-2-yloxy-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 57438572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).