3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid

C11H16N4O3S — CID 62787216

IUPAC3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid
SMILESNc1nc(C(=O)N2CCN(CCC(=O)O)CC2)cs1
InChIInChI=1S/C11H16N4O3S/c12-11-13-8(7-19-11)10(18)15-5-3-14(4-6-15)2-1-9(16)17/h7H,1-6H2,(H2,12,13)(H,16,17)
InChIKeyZPCCWKUWIAQHMF-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.04
Rot. Bonds4

About 3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid

3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 62787216) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID62787216
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid
SMILESNc1nc(C(=O)N2CCN(CCC(=O)O)CC2)cs1
InChIInChI=1S/C11H16N4O3S/c12-11-13-8(7-19-11)10(18)15-5-3-14(4-6-15)2-1-9(16)17/h7H,1-6H2,(H2,12,13)(H,16,17)
InChIKeyZPCCWKUWIAQHMF-UHFFFAOYSA-N
XLogP-0.04
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid
CID 62787048
(2-amino-1,3-thiazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 62788252
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 62789109
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 62787900
1-[4-(2-amino-1,3-thiazole-4-carbonyl)-1,4-diazepan-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 135118389
[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778
(2-amino-1,3-thiazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114408809
(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977856
(2-amino-1,3-thiazol-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methanone
CID 118774810
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 62788546

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid (CID 62787216) is 3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid is Nc1nc(C(=O)N2CCN(CCC(=O)O)CC2)cs1.
What is the InChIKey of 3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is ZPCCWKUWIAQHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c12-11-13-8(7-19-11)10(18)15-5-3-14(4-6-15)2-1-9(16)17/h7H,1-6H2,(H2,12,13)(H,16,17).
What are the key properties of 3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 284.34 g/mol, XLogP of -0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62787216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).