2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate

C15H15ClN3O4S- — CID 6975716

IUPAC2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate
SMILESO=C([O-])COCC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C15H16ClN3O4S/c16-10-1-2-11-12(7-10)24-15(17-11)19-5-3-18(4-6-19)13(20)8-23-9-14(21)22/h1-2,7H,3-6,8-9H2,(H,21,22)/p-1
InChIKeyBNDLJUXCJXNQBE-UHFFFAOYSA-M
MW368.82 g/mol
LogP0.36
Rot. Bonds5

About 2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate

2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate (PubChem CID 6975716) has the molecular formula C15H15ClN3O4S- and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate.

Molecular Properties

Compound Name2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate
PubChem CID6975716
Molecular FormulaC15H15ClN3O4S-
Molecular Weight368.82 g/mol
Exact Mass368.05
IUPAC Name2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate
SMILESO=C([O-])COCC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C15H16ClN3O4S/c16-10-1-2-11-12(7-10)24-15(17-11)19-5-3-18(4-6-19)13(20)8-23-9-14(21)22/h1-2,7H,3-6,8-9H2,(H,21,22)/p-1
InChIKeyBNDLJUXCJXNQBE-UHFFFAOYSA-M
XLogP0.36
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 43982274
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-chlorophenyl)sulfonylethanone
CID 41115377
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 43982264
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-chlorophenyl)sulfonylpropan-1-one
CID 27370389
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone
CID 41320859
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-naphthalen-2-ylethanone
CID 16849457
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 7539109
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 8720069
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 41126493
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 108743193
2-(2-tert-butyl-4-methoxyphenoxy)-1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 108765540
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate?
The IUPAC name of 2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate (CID 6975716) is 2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate.
What is the SMILES notation for 2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate?
The canonical SMILES for 2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate is O=C([O-])COCC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1.
What is the InChIKey of 2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate?
The InChIKey is BNDLJUXCJXNQBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16ClN3O4S/c16-10-1-2-11-12(7-10)24-15(17-11)19-5-3-18(4-6-19)13(20)8-23-9-14(21)22/h1-2,7H,3-6,8-9H2,(H,21,22)/p-1.
What are the key properties of 2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate?
2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate has a molecular weight of 368.82 g/mol, XLogP of 0.36, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethoxy]acetate is sourced from PubChem (CID 6975716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).