2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid

C11H13N3O2S — CID 104840857

IUPAC2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2cn(C)nc2C)sc1C(=O)O
InChIInChI=1S/C11H13N3O2S/c1-4-8-9(11(15)16)17-10(12-8)7-5-14(3)13-6(7)2/h5H,4H2,1-3H3,(H,15,16)
InChIKeyMRDVFRWUSNTFRP-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.11
Rot. Bonds3

About 2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid

2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 104840857) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID104840857
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCc1nc(-c2cn(C)nc2C)sc1C(=O)O
InChIInChI=1S/C11H13N3O2S/c1-4-8-9(11(15)16)17-10(12-8)7-5-14(3)13-6(7)2/h5H,4H2,1-3H3,(H,15,16)
InChIKeyMRDVFRWUSNTFRP-UHFFFAOYSA-N
XLogP2.11
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-1-methylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 112670116
4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 113459536
4-ethyl-2-(1-ethylpyrazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 103570070
4-ethyl-2-(2,3,4-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107935411
3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid
CID 66009716
4-ethyl-2-(2-fluoro-4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 104838429
4-ethyl-2-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 104838471
6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646225
2-[5-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
CID 83091754
2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20991959
3-(1,3-dimethylpyrazol-4-yl)-5-ethyl-1,2-oxazole-4-carboxylic acid
CID 83094155
1-[4-ethyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]ethanone
CID 82428234

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 104840857) is 2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid is CCc1nc(-c2cn(C)nc2C)sc1C(=O)O.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is MRDVFRWUSNTFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-4-8-9(11(15)16)17-10(12-8)7-5-14(3)13-6(7)2/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 251.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 104840857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).