2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid

C10H12ClN3O3S — CID 78979372

IUPAC2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)N1CCN(c2nc(Cl)c(C(=O)O)s2)CC1
InChIInChI=1S/C10H12ClN3O3S/c1-6(15)13-2-4-14(5-3-13)10-12-8(11)7(18-10)9(16)17/h2-5H2,1H3,(H,16,17)
InChIKeyHVAXJYUKIRZHOY-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.16
Rot. Bonds2

About 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid

2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid (PubChem CID 78979372) has the molecular formula C10H12ClN3O3S and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid
PubChem CID78979372
Molecular FormulaC10H12ClN3O3S
Molecular Weight289.74 g/mol
Exact Mass289.03
IUPAC Name2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid
SMILESCC(=O)N1CCN(c2nc(Cl)c(C(=O)O)s2)CC1
InChIInChI=1S/C10H12ClN3O3S/c1-6(15)13-2-4-14(5-3-13)10-12-8(11)7(18-10)9(16)17/h2-5H2,1H3,(H,16,17)
InChIKeyHVAXJYUKIRZHOY-UHFFFAOYSA-N
XLogP1.16
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid (CID 78979372) is 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid is CC(=O)N1CCN(c2nc(Cl)c(C(=O)O)s2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid?
The InChIKey is HVAXJYUKIRZHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3S/c1-6(15)13-2-4-14(5-3-13)10-12-8(11)7(18-10)9(16)17/h2-5H2,1H3,(H,16,17).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid?
2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid has a molecular weight of 289.74 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-4-chloro-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 78979372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).