1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride

C12H15Cl2N5O2S — CID 21278831

IUPAC1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride
SMILESCl.NN1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1
InChIInChI=1S/C12H14ClN5O2S.ClH/c13-8-5-9-11(15-6-8)21-12(20)18(9)7-10(19)16-1-3-17(14)4-2-16;/h5-6H,1-4,7,14H2;1H
InChIKeyWPOIOEAYDBUGKI-UHFFFAOYSA-N
MW364.26 g/mol
LogP0.55
Rot. Bonds2

About 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride

1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride (PubChem CID 21278831) has the molecular formula C12H15Cl2N5O2S and a molecular weight of 364.26 g/mol. Its IUPAC name is 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride
PubChem CID21278831
Molecular FormulaC12H15Cl2N5O2S
Molecular Weight364.26 g/mol
Exact Mass363.03
IUPAC Name1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride
SMILESCl.NN1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1
InChIInChI=1S/C12H14ClN5O2S.ClH/c13-8-5-9-11(15-6-8)21-12(20)18(9)7-10(19)16-1-3-17(14)4-2-16;/h5-6H,1-4,7,14H2;1H
InChIKeyWPOIOEAYDBUGKI-UHFFFAOYSA-N
XLogP0.55
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride?
The IUPAC name of 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride (CID 21278831) is 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride?
The canonical SMILES for 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride is Cl.NN1CCN(C(=O)Cn2c(=O)sc3ncc(Cl)cc32)CC1.
What is the InChIKey of 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride?
The InChIKey is WPOIOEAYDBUGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2S.ClH/c13-8-5-9-11(15-6-8)21-12(20)18(9)7-10(19)16-1-3-17(14)4-2-16;/h5-6H,1-4,7,14H2;1H.
What are the key properties of 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride?
1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride has a molecular weight of 364.26 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-one;hydrochloride is sourced from PubChem (CID 21278831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).