4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid

C8H7N3O2S — CID 43664440

IUPAC4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(Cn2cccn2)cs1
InChIInChI=1S/C8H7N3O2S/c12-8(13)7-10-6(5-14-7)4-11-3-1-2-9-11/h1-3,5H,4H2,(H,12,13)
InChIKeyLTNSPOIZEYAMDH-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.09
Rot. Bonds3

About 4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid

4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 43664440) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
PubChem CID43664440
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(Cn2cccn2)cs1
InChIInChI=1S/C8H7N3O2S/c12-8(13)7-10-6(5-14-7)4-11-3-1-2-9-11/h1-3,5H,4H2,(H,12,13)
InChIKeyLTNSPOIZEYAMDH-UHFFFAOYSA-N
XLogP1.09
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 130547609
4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazole-2-carboxylic acid
CID 43670361
4-[(2-oxo-1,3-thiazol-3-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63312694
4-[(4-methylsulfonylpyrazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 165472172
4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664492
4-ethyl-2-(pyrazol-1-ylmethyl)-1,3-thiazole
CID 130619188
4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103282713
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 62773649
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
4-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664522
2-methyl-N-[[4-(pyrazol-1-ylmethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 55073122

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid (CID 43664440) is 4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(Cn2cccn2)cs1.
What is the InChIKey of 4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is LTNSPOIZEYAMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c12-8(13)7-10-6(5-14-7)4-11-3-1-2-9-11/h1-3,5H,4H2,(H,12,13).
What are the key properties of 4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid?
4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 209.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazol-1-ylmethyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 43664440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).