5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid

C12H11NO2S — CID 67425132

IUPAC5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid
SMILESCCc1sc(C(=O)O)nc1-c1ccccc1
InChIInChI=1S/C12H11NO2S/c1-2-9-10(8-6-4-3-5-7-8)13-11(16-9)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyINQBBLWKHHTMPS-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.07
Rot. Bonds3

About 5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid

5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid (PubChem CID 67425132) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid
PubChem CID67425132
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid
SMILESCCc1sc(C(=O)O)nc1-c1ccccc1
InChIInChI=1S/C12H11NO2S/c1-2-9-10(8-6-4-3-5-7-8)13-11(16-9)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyINQBBLWKHHTMPS-UHFFFAOYSA-N
XLogP3.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-ethyl-4-phenyl-1,3-thiazole
CID 68778379
5-ethyl-4-phenyl-2-propan-2-yl-1,3-thiazole
CID 90934410
5-ethyl-2-phenyl-1,3-thiazol-4-ol
CID 13484654
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 7349449
2-(4-bromophenyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 5227913
5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid
CID 79023710
ethyl 4,5-diphenyl-1,3-thiazole-2-carboxylate
CID 66524921
cis-(1S,2R)-2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 7121338
(1R,2S,3R,4R)-3-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98300704
2-(azetidin-1-ylsulfonyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 59634279
4-phenyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 79015048
4,9-dioxobenzo[f][1,3]benzothiazole-2-carboxylic acid
CID 11010697

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid (CID 67425132) is 5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid is CCc1sc(C(=O)O)nc1-c1ccccc1.
What is the InChIKey of 5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is INQBBLWKHHTMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-2-9-10(8-6-4-3-5-7-8)13-11(16-9)12(14)15/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid?
5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-phenyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 67425132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).