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

C10H15NO2S — CID 58356351

IUPACethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1C(C)C
InChIInChI=1S/C10H15NO2S/c1-5-13-10(12)8-9(6(2)3)14-7(4)11-8/h6H,5H2,1-4H3
InChIKeyLHJMNQMQHPCNKS-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.75
Rot. Bonds3

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

ethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 58356351) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is ethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate
PubChem CID58356351
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Nameethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1C(C)C
InChIInChI=1S/C10H15NO2S/c1-5-13-10(12)8-9(6(2)3)14-7(4)11-8/h6H,5H2,1-4H3
InChIKeyLHJMNQMQHPCNKS-UHFFFAOYSA-N
XLogP2.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate (CID 58356351) is ethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C)sc1C(C)C.
What is the InChIKey of ethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is LHJMNQMQHPCNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-5-13-10(12)8-9(6(2)3)14-7(4)11-8/h6H,5H2,1-4H3.
What are the key properties of ethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate?
ethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 213.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-5-propan-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 58356351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).