2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid

C13H13NO3S — CID 62497635

IUPAC2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCOc1cccc(-c2ncc(C(=O)O)s2)c1
InChIInChI=1S/C13H13NO3S/c1-2-6-17-10-5-3-4-9(7-10)12-14-8-11(18-12)13(15)16/h3-5,7-8H,2,6H2,1H3,(H,15,16)
InChIKeyZDYZKVZTROBEOT-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.30
Rot. Bonds5

About 2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid

2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 62497635) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID62497635
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCCOc1cccc(-c2ncc(C(=O)O)s2)c1
InChIInChI=1S/C13H13NO3S/c1-2-6-17-10-5-3-4-9(7-10)12-14-8-11(18-12)13(15)16/h3-5,7-8H,2,6H2,1H3,(H,15,16)
InChIKeyZDYZKVZTROBEOT-UHFFFAOYSA-N
XLogP3.30
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-phenoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 62652088
methyl 2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113306348
ethyl 5-methyl-2-(3-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 116526130
2-(4-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 43156460
5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62919017
2-(2-methyl-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 66654677
3-(3-propoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 79325384
4-(difluoromethyl)-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 103198883
4-ethyl-2-(3-propoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842346
5-[(3-propoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 62920181
2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191168
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid (CID 62497635) is 2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid is CCCOc1cccc(-c2ncc(C(=O)O)s2)c1.
What is the InChIKey of 2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZDYZKVZTROBEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-2-6-17-10-5-3-4-9(7-10)12-14-8-11(18-12)13(15)16/h3-5,7-8H,2,6H2,1H3,(H,15,16).
What are the key properties of 2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid?
2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxyphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62497635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).