2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid

C15H16ClN3O4S — CID 13276639

IUPAC2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C15H16ClN3O4S/c16-10-1-2-12-11(7-10)19(15(23)24-12)8-13(20)18-5-3-17(4-6-18)9-14(21)22/h1-2,7H,3-6,8-9H2,(H,21,22)
InChIKeyHPWKOVSOWPDYBK-UHFFFAOYSA-N
MW369.83 g/mol
LogP0.95
Rot. Bonds4

About 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid

2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid (PubChem CID 13276639) has the molecular formula C15H16ClN3O4S and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid
PubChem CID13276639
Molecular FormulaC15H16ClN3O4S
Molecular Weight369.83 g/mol
Exact Mass369.06
IUPAC Name2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1
InChIInChI=1S/C15H16ClN3O4S/c16-10-1-2-12-11(7-10)19(15(23)24-12)8-13(20)18-5-3-17(4-6-18)9-14(21)22/h1-2,7H,3-6,8-9H2,(H,21,22)
InChIKeyHPWKOVSOWPDYBK-UHFFFAOYSA-N
XLogP0.95
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic 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

Tiaramide
CID 5469
Tiaramide Hydrochloride
CID 443949
Benazolin
CID 19662
{4-[2-(4-Chloro-phenylsulfanyl)-phenyl]-2,5-dimethyl-piperazin-1-yl}-acetic acid
CID 44393005
5-Chloro-3-(2-oxo-2-(1-piperazinyl)ethyl)-2(3H)-benzothiazolone
CID 169502
3-[4-[4-(3-Chlorophenyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one
CID 118713592
3-[2-(Azepan-1-yl)ethyl]-5-chloro-1,3-benzothiazol-2-one
CID 155528147
2-Benzothiazolinone, 5-chloro-3-(4-methylpiperazin-1-yl)carbonylmethyl-
CID 36417
Nta 208
CID 36156
5-Chloro-3-(2-hydroxy-2-iminoethyl)-2-oxo-3-(2-oxopropyl)-2,3-dihydro-1,3-benzothiazol-3-ium
CID 214528
2-[[1-[2-(5-Chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperidine-4-carbonyl]amino]ethyl hydrogen sulfate
CID 44271222
Hpr 611
CID 3082453

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid (CID 13276639) is 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1.
What is the InChIKey of 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid?
The InChIKey is HPWKOVSOWPDYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4S/c16-10-1-2-12-11(7-10)19(15(23)24-12)8-13(20)18-5-3-17(4-6-18)9-14(21)22/h1-2,7H,3-6,8-9H2,(H,21,22).
What are the key properties of 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid?
2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid has a molecular weight of 369.83 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 13276639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).