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

C7H9NO3S — CID 15691762

IUPACethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(O)c(C)s1
InChIInChI=1S/C7H9NO3S/c1-3-11-7(10)6-8-5(9)4(2)12-6/h9H,3H2,1-2H3
InChIKeyXGTYLIJXUZQDJK-UHFFFAOYSA-N
MW187.22 g/mol
LogP1.33
Rot. Bonds2

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

ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate (PubChem CID 15691762) has the molecular formula C7H9NO3S and a molecular weight of 187.22 g/mol. Its IUPAC name is ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate
PubChem CID15691762
Molecular FormulaC7H9NO3S
Molecular Weight187.22 g/mol
Exact Mass187.03
IUPAC Nameethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(O)c(C)s1
InChIInChI=1S/C7H9NO3S/c1-3-11-7(10)6-8-5(9)4(2)12-6/h9H,3H2,1-2H3
InChIKeyXGTYLIJXUZQDJK-UHFFFAOYSA-N
XLogP1.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(furan-2-yl)-5-methyl-1,3-thiazole-2-carboxylate
CID 62633596
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
ethyl 6-hydroxy-1,3-benzothiazole-2-carboxylate
CID 15498366
ethyl 5,5,7,7-tetramethyl-4,6-dihydro-1,3-benzothiazole-2-carboxylate
CID 112682520
ethyl 5,7-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxylate
CID 64752018
ethyl 5-propan-2-yl-1,3,4-thiadiazole-2-carboxylate
CID 59459549
ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
ethyl 5-(aminomethyl)-1,3,4-thiadiazole-2-carboxylate;hydrochloride
CID 146082356
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337
ethyl 7-oxo-5,6-dihydro-4H-1,3-benzothiazole-2-carboxylate
CID 14955933
5-(2,2-dimethylpropyl)-2-ethoxycarbonyl-1,3-thiazole-4-carboxylic acid
CID 165484613
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate (CID 15691762) is ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(O)c(C)s1.
What is the InChIKey of ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate?
The InChIKey is XGTYLIJXUZQDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S/c1-3-11-7(10)6-8-5(9)4(2)12-6/h9H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate?
ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate has a molecular weight of 187.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-5-methyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 15691762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).