2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid

C13H19N3O2S — CID 82167562

IUPAC2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C13H19N3O2S/c1-9(12(17)18)15-5-7-16(8-6-15)13-14-10-3-2-4-11(10)19-13/h9H,2-8H2,1H3,(H,17,18)
InChIKeyWAHSCYXGKZUWKL-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.23
Rot. Bonds3

About 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid

2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid (PubChem CID 82167562) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid
PubChem CID82167562
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(c2nc3c(s2)CCC3)CC1
InChIInChI=1S/C13H19N3O2S/c1-9(12(17)18)15-5-7-16(8-6-15)13-14-10-3-2-4-11(10)19-13/h9H,2-8H2,1H3,(H,17,18)
InChIKeyWAHSCYXGKZUWKL-UHFFFAOYSA-N
XLogP1.23
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]acetic acid
CID 82167561
3-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-1-yl]propanoic acid
CID 82167572
2-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 165433014
2-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64977470
4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 79393186
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-methyl-1-[4-[6-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]piperazin-1-yl]propan-1-one
CID 53188318
2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanoic acid
CID 82115074
(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114207453
2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]propanoic acid
CID 82167536

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid (CID 82167562) is 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(c2nc3c(s2)CCC3)CC1.
What is the InChIKey of 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid?
The InChIKey is WAHSCYXGKZUWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-9(12(17)18)15-5-7-16(8-6-15)13-14-10-3-2-4-11(10)19-13/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid?
2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid has a molecular weight of 281.38 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 82167562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).