4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid

C15H14N4O2S — CID 123283463

IUPAC4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccn(CCc3ccccn3)n2)sc1C(=O)O
InChIInChI=1S/C15H14N4O2S/c1-10-13(15(20)21)22-14(17-10)12-6-9-19(18-12)8-5-11-4-2-3-7-16-11/h2-4,6-7,9H,5,8H2,1H3,(H,20,21)
InChIKeyMACUNUAJMDWQPC-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.65
Rot. Bonds5

About 4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 123283463) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID123283463
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ccn(CCc3ccccn3)n2)sc1C(=O)O
InChIInChI=1S/C15H14N4O2S/c1-10-13(15(20)21)22-14(17-10)12-6-9-19(18-12)8-5-11-4-2-3-7-16-11/h2-4,6-7,9H,5,8H2,1H3,(H,20,21)
InChIKeyMACUNUAJMDWQPC-UHFFFAOYSA-N
XLogP2.65
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid (CID 123283463) is 4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ccn(CCc3ccccn3)n2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is MACUNUAJMDWQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-10-13(15(20)21)22-14(17-10)12-6-9-19(18-12)8-5-11-4-2-3-7-16-11/h2-4,6-7,9H,5,8H2,1H3,(H,20,21).
What are the key properties of 4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 314.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 123283463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).