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

C13H17N3O2S — CID 114556533

IUPAC4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccnn2CCC)sc1C(=O)O
InChIInChI=1S/C13H17N3O2S/c1-3-5-9-11(13(17)18)19-12(15-9)10-6-7-14-16(10)8-4-2/h6-7H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyKEQWMSBOMDICQE-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.07
Rot. Bonds6

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

4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114556533) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114556533
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(-c2ccnn2CCC)sc1C(=O)O
InChIInChI=1S/C13H17N3O2S/c1-3-5-9-11(13(17)18)19-12(15-9)10-6-7-14-16(10)8-4-2/h6-7H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyKEQWMSBOMDICQE-UHFFFAOYSA-N
XLogP3.07
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylpyrazol-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114556534
4-tert-butyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114556532
2-(5-bromothiophen-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359674
2-(3-chloro-4-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106817947
2-(4-methylsulfanylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 106847725
2-(5-bromo-2-pyridinyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359583
2-bromo-4-propyl-1,3-thiazole-5-carboxylic acid
CID 13015610
2-(2-ethylpyrazol-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 114556484
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
2-(2-methyl-1-benzofuran-3-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114360623
2-(4-bromo-2-methylphenyl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 103083519

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid (CID 114556533) is 4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid is CCCc1nc(-c2ccnn2CCC)sc1C(=O)O.
What is the InChIKey of 4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is KEQWMSBOMDICQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-3-5-9-11(13(17)18)19-12(15-9)10-6-7-14-16(10)8-4-2/h6-7H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid?
4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 279.37 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(2-propylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114556533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).