3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid

C11H14N4O2S — CID 103487121

IUPAC3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(NCCn2cccn2)n1
InChIInChI=1S/C11H14N4O2S/c16-10(17)3-2-9-8-18-11(14-9)12-5-7-15-6-1-4-13-15/h1,4,6,8H,2-3,5,7H2,(H,12,14)(H,16,17)
InChIKeyWQSJSJVIIRFFJN-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.47
Rot. Bonds7

About 3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid

3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103487121) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid
PubChem CID103487121
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(NCCn2cccn2)n1
InChIInChI=1S/C11H14N4O2S/c16-10(17)3-2-9-8-18-11(14-9)12-5-7-15-6-1-4-13-15/h1,4,6,8H,2-3,5,7H2,(H,12,14)(H,16,17)
InChIKeyWQSJSJVIIRFFJN-UHFFFAOYSA-N
XLogP1.47
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-(3-pyrazol-1-ylpropylamino)-1,3-thiazol-4-yl]propanoate
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4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
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3-[2-[(4-amino-4-oxobutyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486432
3-[2-[2-(carbamoylamino)ethylamino]-1,3-thiazol-4-yl]propanoic acid
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3-[2-[2-[di(propan-2-yl)amino]ethylamino]-1,3-thiazol-4-yl]propanoic acid
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3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoic acid
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3-[2-[3-(methanesulfonamido)propylamino]-1,3-thiazol-4-yl]propanoic acid
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3-[2-[2-(5-chlorothiophen-2-yl)ethylamino]-1,3-thiazol-4-yl]propanoic acid
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N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide
CID 75477161
4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80569708
3-[2-(1H-imidazol-5-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103487974
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid (CID 103487121) is 3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid is O=C(O)CCc1csc(NCCn2cccn2)n1.
What is the InChIKey of 3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is WQSJSJVIIRFFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c16-10(17)3-2-9-8-18-11(14-9)12-5-7-15-6-1-4-13-15/h1,4,6,8H,2-3,5,7H2,(H,12,14)(H,16,17).
What are the key properties of 3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 266.33 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-pyrazol-1-ylethylamino)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103487121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).