ethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate

C13H13NO3S — CID 13114379

IUPACethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)nc1CO
InChIInChI=1S/C13H13NO3S/c1-2-17-13(16)11-10(8-15)14-12(18-11)9-6-4-3-5-7-9/h3-7,15H,2,8H2,1H3
InChIKeySZSKRILFGVWSJY-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.48
Rot. Bonds4

About ethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate

ethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 13114379) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is ethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate
PubChem CID13114379
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Nameethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)nc1CO
InChIInChI=1S/C13H13NO3S/c1-2-17-13(16)11-10(8-15)14-12(18-11)9-6-4-3-5-7-9/h3-7,15H,2,8H2,1H3
InChIKeySZSKRILFGVWSJY-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 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 2743970
4-Methyl-2-phenyl-thiazole-5-carboxylic acid
CID 720957
4-Methyl-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 2763625
2-(4-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 2768679
Ethyl 5-acetyl-2-phenylthiazole-4-carboxylate
CID 2745356
Ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 135509402
4-Methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolecarboxylic acid
CID 2775663
2-(2-Chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 1486890
2-(2-Fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980371
Ethyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 7131013
5-Methyl-2-phenyl-1,3-thiazole-4-carboxylic acid
CID 13835304
4-Methyl-2-(3-(trifluoromethyl)phenyl)-1,3-thiazole-5-carboxylic acid
CID 1483671

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate (CID 13114379) is ethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccccc2)nc1CO.
What is the InChIKey of ethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is SZSKRILFGVWSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-2-17-13(16)11-10(8-15)14-12(18-11)9-6-4-3-5-7-9/h3-7,15H,2,8H2,1H3.
What are the key properties of ethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate?
ethyl 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-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 4-(hydroxymethyl)-2-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 13114379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).