ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate

C10H15NO4S — CID 141485375

IUPACethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1CC(O)OC
InChIInChI=1S/C10H15NO4S/c1-4-15-10(13)9-7(5-8(12)14-3)16-6(2)11-9/h8,12H,4-5H2,1-3H3
InChIKeyCPVUZSXREBCKNM-UHFFFAOYSA-N
MW245.30 g/mol
LogP1.14
Rot. Bonds5

About ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate

ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 141485375) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate
PubChem CID141485375
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Nameethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C)sc1CC(O)OC
InChIInChI=1S/C10H15NO4S/c1-4-15-10(13)9-7(5-8(12)14-3)16-6(2)11-9/h8,12H,4-5H2,1-3H3
InChIKeyCPVUZSXREBCKNM-UHFFFAOYSA-N
XLogP1.14
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 5-ethyl-2-methyl-1,3-thiazole-4-carboxylate
CID 4275287
ethyl 5-bromo-2-methyl-1,3-thiazole-4-carboxylate
CID 59291239
ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate
CID 13015593
ethyl 5-fluorosulfonyl-2-methyl-1,3-thiazole-4-carboxylate
CID 165460552
ethyl 5-[(3-chlorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxylate
CID 165177655
ethyl 5-(2,5-dimethylpyrrol-1-yl)-2-methyl-1,3-thiazole-4-carboxylate
CID 166058595
ethyl 5-(2-methylpropyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 59345168
ethyl 5-[2-methoxy-3-tri(propan-2-yl)silyloxypropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate
CID 155592348
5-acetyl-2-methyl-1,3-thiazole-4-carboxamide;azane;ethyl 5-acetyl-2-methyl-1,3-thiazole-4-carboxylate
CID 158653673
ethyl 5-(2-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 22437391
ethyl 2-methyl-5-phenyl-1,3-thiazole-4-carboxylate;hydrochloride
CID 112758002
methyl 5-(3-methoxypropyl)-2-methyl-1,3-thiazole-4-carboxylate
CID 126482957

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate (CID 141485375) is ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C)sc1CC(O)OC.
What is the InChIKey of ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is CPVUZSXREBCKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-4-15-10(13)9-7(5-8(12)14-3)16-6(2)11-9/h8,12H,4-5H2,1-3H3.
What are the key properties of ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate?
ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 245.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-hydroxy-2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 141485375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).