4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one

C12H12ClN3OS — CID 166260361

IUPAC4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2nc3cc(Cl)ccc3s2)CC1=O
InChIInChI=1S/C12H12ClN3OS/c1-15-4-5-16(7-11(15)17)12-14-9-6-8(13)2-3-10(9)18-12/h2-3,6H,4-5,7H2,1H3
InChIKeyMGPWTGOBSVKODB-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.23
Rot. Bonds1

About 4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one

4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one (PubChem CID 166260361) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one
PubChem CID166260361
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one
SMILESCN1CCN(c2nc3cc(Cl)ccc3s2)CC1=O
InChIInChI=1S/C12H12ClN3OS/c1-15-4-5-16(7-11(15)17)12-14-9-6-8(13)2-3-10(9)18-12/h2-3,6H,4-5,7H2,1H3
InChIKeyMGPWTGOBSVKODB-UHFFFAOYSA-N
XLogP2.23
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-((5-Chloro-1,3-benzothiazol-2-YL)methyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-YL)acetic acid
CID 10450624
N-(6-Chloro-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 6489804
1-[4-(6-Chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2746594
6-Chloro-2-(4-(methylsulfonyl)piperazin-1-yl)benzo[d]thiazole
CID 2746598
1-[4-(6-Chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7539094
1-[4-(6-Fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 7539142
2-(4-Ethylpiperazin-1-yl)-1,3-benzothiazole
CID 1537066
6-Chloro-2-(piperidin-1-yl)benzo[d]thiazole
CID 2741379
1-(4-(Benzo[d]thiazol-2-yl)piperazin-1-yl)-2,2-dimethylpropan-1-one
CID 7136377
[3-(5-Chloro-benzothiazol-2-ylmethyl)-2,4,5-trioxo-imidazolidin-1-yl]-acetic acid
CID 10570082
3-[4-[1-(2-Benzothiazolyl)-4-piperazinyl]butyl]-4-thiazolidinone
CID 10762097
[4-(5-Chloro-benzothiazol-2-yl)-[1,4]diazepan-1-yl]-(tetrahydro-pyran-4-yl)-methanone
CID 25269225

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one (CID 166260361) is 4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one is CN1CCN(c2nc3cc(Cl)ccc3s2)CC1=O.
What is the InChIKey of 4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one?
The InChIKey is MGPWTGOBSVKODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-15-4-5-16(7-11(15)17)12-14-9-6-8(13)2-3-10(9)18-12/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one?
4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one has a molecular weight of 281.77 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1,3-benzothiazol-2-yl)-1-methylpiperazin-2-one is sourced from PubChem (CID 166260361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).