2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid

C12H19N3O2S — CID 83042107

IUPAC2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H19N3O2S/c1-2-3-10(11(16)17)14-5-7-15(8-6-14)12-13-4-9-18-12/h4,9-10H,2-3,5-8H2,1H3,(H,16,17)
InChIKeyGGFHWUOCSQXQJA-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.52
Rot. Bonds5

About 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid

2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid (PubChem CID 83042107) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid
PubChem CID83042107
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H19N3O2S/c1-2-3-10(11(16)17)14-5-7-15(8-6-14)12-13-4-9-18-12/h4,9-10H,2-3,5-8H2,1H3,(H,16,17)
InChIKeyGGFHWUOCSQXQJA-UHFFFAOYSA-N
XLogP1.52
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]pentanoic acid
CID 107565977
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
2-ethoxy-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoic acid
CID 63068067
2-ethoxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 63067892
N-prop-2-ynyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 86919342
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butanamide
CID 47079050
N-(4-ethylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 51311966
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 62270105
N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine
CID 62558685
3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propanoic acid
CID 80996624
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid?
The IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid (CID 83042107) is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid?
The canonical SMILES for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid is CCCC(C(=O)O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid?
The InChIKey is GGFHWUOCSQXQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-3-10(11(16)17)14-5-7-15(8-6-14)12-13-4-9-18-12/h4,9-10H,2-3,5-8H2,1H3,(H,16,17).
What are the key properties of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid?
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid has a molecular weight of 269.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentanoic acid is sourced from PubChem (CID 83042107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).