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

C10H14N4O3S — CID 62787048

IUPAC2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid
SMILESNc1nc(C(=O)N2CCN(CC(=O)O)CC2)cs1
InChIInChI=1S/C10H14N4O3S/c11-10-12-7(6-18-10)9(17)14-3-1-13(2-4-14)5-8(15)16/h6H,1-5H2,(H2,11,12)(H,15,16)
InChIKeyKTONGYASWVFYEU-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.43
Rot. Bonds3

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

2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid (PubChem CID 62787048) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid
PubChem CID62787048
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid
SMILESNc1nc(C(=O)N2CCN(CC(=O)O)CC2)cs1
InChIInChI=1S/C10H14N4O3S/c11-10-12-7(6-18-10)9(17)14-3-1-13(2-4-14)5-8(15)16/h6H,1-5H2,(H2,11,12)(H,15,16)
InChIKeyKTONGYASWVFYEU-UHFFFAOYSA-N
XLogP-0.43
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid (CID 62787048) is 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid is Nc1nc(C(=O)N2CCN(CC(=O)O)CC2)cs1.
What is the InChIKey of 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid?
The InChIKey is KTONGYASWVFYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c11-10-12-7(6-18-10)9(17)14-3-1-13(2-4-14)5-8(15)16/h6H,1-5H2,(H2,11,12)(H,15,16).
What are the key properties of 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid?
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid has a molecular weight of 270.31 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 62787048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).