4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid

C14H19N3O2S — CID 114556532

IUPAC4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCn1nccc1-c1nc(C(C)(C)C)c(C(=O)O)s1
InChIInChI=1S/C14H19N3O2S/c1-5-8-17-9(6-7-15-17)12-16-11(14(2,3)4)10(20-12)13(18)19/h6-7H,5,8H2,1-4H3,(H,18,19)
InChIKeyZJDLDXFSXKAADE-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.41
Rot. Bonds4

About 4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid

4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114556532) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114556532
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCn1nccc1-c1nc(C(C)(C)C)c(C(=O)O)s1
InChIInChI=1S/C14H19N3O2S/c1-5-8-17-9(6-7-15-17)12-16-11(14(2,3)4)10(20-12)13(18)19/h6-7H,5,8H2,1-4H3,(H,18,19)
InChIKeyZJDLDXFSXKAADE-UHFFFAOYSA-N
XLogP3.41
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid (CID 114556532) is 4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid is CCCn1nccc1-c1nc(C(C)(C)C)c(C(=O)O)s1.
What is the InChIKey of 4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZJDLDXFSXKAADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-5-8-17-9(6-7-15-17)12-16-11(14(2,3)4)10(20-12)13(18)19/h6-7H,5,8H2,1-4H3,(H,18,19).
What are the key properties of 4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid?
4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 293.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114556532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).