5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid

C15H17NO3S — CID 106510956

IUPAC5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc(-c2sc(C(C)C)nc2C(=O)O)cc1
InChIInChI=1S/C15H17NO3S/c1-4-19-11-7-5-10(6-8-11)13-12(15(17)18)16-14(20-13)9(2)3/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyFOGWCRBTDAVHIP-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.03
Rot. Bonds5

About 5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid

5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 106510956) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
PubChem CID106510956
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc(-c2sc(C(C)C)nc2C(=O)O)cc1
InChIInChI=1S/C15H17NO3S/c1-4-19-11-7-5-10(6-8-11)13-12(15(17)18)16-14(20-13)9(2)3/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyFOGWCRBTDAVHIP-UHFFFAOYSA-N
XLogP4.03
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 80503622
2-(1-methoxyethyl)-5-phenyl-1,3-thiazole-4-carboxylic acid
CID 79615913
3-(4-ethoxyphenyl)pyridine-2-carboxylic acid
CID 82085089
2-ethyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510760
3-amino-5-(4-ethoxyphenyl)-4-methylthiophene-2-carboxylic acid
CID 83036198
4,5-bis(4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
CID 13015383
4-[(4-ethylphenoxy)methyl]-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226758
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
3-amino-5-(4-ethoxyphenyl)-4-ethylthiophene-2-carboxylic acid
CID 83034427
2-bromo-5-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
CID 82135118
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
4-(phenoxymethyl)-2-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226748

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid (CID 106510956) is 5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid is CCOc1ccc(-c2sc(C(C)C)nc2C(=O)O)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is FOGWCRBTDAVHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-4-19-11-7-5-10(6-8-11)13-12(15(17)18)16-14(20-13)9(2)3/h5-9H,4H2,1-3H3,(H,17,18).
What are the key properties of 5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid?
5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-2-propan-2-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).