2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid

C13H13NO3S — CID 79615913

IUPAC2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCOC(C)c1nc(C(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C13H13NO3S/c1-8(17-2)12-14-10(13(15)16)11(18-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,15,16)
InChIKeyXUSCIAXDJSMCRH-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.22
Rot. Bonds4

About 2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid

2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid (PubChem CID 79615913) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
PubChem CID79615913
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
SMILESCOC(C)c1nc(C(=O)O)c(-c2ccccc2)s1
InChIInChI=1S/C13H13NO3S/c1-8(17-2)12-14-10(13(15)16)11(18-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,15,16)
InChIKeyXUSCIAXDJSMCRH-UHFFFAOYSA-N
XLogP3.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510998
5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510956
2-(dimethylamino)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 66865715
methyl 2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 101222857
2-carbamoyl-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 59291531
5-phenyl-2-propyl-1,3-thiazole-4-carboxylic acid
CID 64716441
2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 102927109
2-[(2R)-1-amino-3-[(2-methylpropan-2-yl)oxy]-1-naphthalen-2-yl-3-oxopropan-2-yl]-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 174392175
5-(3,5-dichlorophenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510928
5-(3-chloro-4-methylphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106819575
5-(4-bromo-3-methylphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510943
2-[2-(dimethylamino)ethyl]-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 115345538

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid (CID 79615913) is 2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid is COC(C)c1nc(C(=O)O)c(-c2ccccc2)s1.
What is the InChIKey of 2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is XUSCIAXDJSMCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-8(17-2)12-14-10(13(15)16)11(18-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,15,16).
What are the key properties of 2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid?
2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 79615913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).