ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate

C13H13NO3S — CID 58924938

IUPACethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccccc2CO)n1
InChIInChI=1S/C13H13NO3S/c1-2-17-13(16)11-8-18-12(14-11)10-6-4-3-5-9(10)7-15/h3-6,8,15H,2,7H2,1H3
InChIKeyKOAWTQIDZQJFON-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.48
Rot. Bonds4

About ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate

ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate (PubChem CID 58924938) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate
PubChem CID58924938
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Nameethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccccc2CO)n1
InChIInChI=1S/C13H13NO3S/c1-2-17-13(16)11-8-18-12(14-11)10-6-4-3-5-9(10)7-15/h3-6,8,15H,2,7H2,1H3
InChIKeyKOAWTQIDZQJFON-UHFFFAOYSA-N
XLogP2.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-1,3-thiazole-4-carboxylate
CID 52904818
methyl 2-(2-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 115422199
ethyl 2-(4-ethoxynaphthalen-1-yl)-1,3-thiazole-4-carboxylate;N-methylmethanamine
CID 70160605
ethyl 2-(4-methyl-3-phenylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 67071923
ethyl 2-(2-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136938657
ethyl 2-(1-methylindol-2-yl)-1,3-thiazole-4-carboxylate
CID 131875535
methyl 2-naphthalen-1-yl-1,3-thiazole-4-carboxylate
CID 113306366
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 78974871
ethyl 2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxylate
CID 104822748
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114905320
ethyl 2-(2-bromo-6-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 114884535
ethyl 2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate (CID 58924938) is ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccccc2CO)n1.
What is the InChIKey of ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate?
The InChIKey is KOAWTQIDZQJFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-2-17-13(16)11-8-18-12(14-11)10-6-4-3-5-9(10)7-15/h3-6,8,15H,2,7H2,1H3.
What are the key properties of ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate?
ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate has a molecular weight of 263.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(hydroxymethyl)phenyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 58924938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).