(5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

C16H13BrClN3O2S — CID 43982259

IUPAC(5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C16H13BrClN3O2S/c17-14-4-3-12(23-14)15(22)20-5-7-21(8-6-20)16-19-11-2-1-10(18)9-13(11)24-16/h1-4,9H,5-8H2
InChIKeyRJJXFXAHNAELOV-UHFFFAOYSA-N
MW426.72 g/mol
LogP4.27
Rot. Bonds2

About (5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

(5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 43982259) has the molecular formula C16H13BrClN3O2S and a molecular weight of 426.72 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
PubChem CID43982259
Molecular FormulaC16H13BrClN3O2S
Molecular Weight426.72 g/mol
Exact Mass424.96
IUPAC Name(5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C16H13BrClN3O2S/c17-14-4-3-12(23-14)15(22)20-5-7-21(8-6-20)16-19-11-2-1-10(18)9-13(11)24-16/h1-4,9H,5-8H2
InChIKeyRJJXFXAHNAELOV-UHFFFAOYSA-N
XLogP4.27
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.72
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 41115533
[4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 41115263
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7539068
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 7539079
3-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one
CID 41115293
[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone
CID 2747131
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 18587315
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 7539074
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-naphthalen-2-ylethanone
CID 16849457
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 44917313
(2,4-dichlorophenyl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539124

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 43982259) is (5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is RJJXFXAHNAELOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O2S/c17-14-4-3-12(23-14)15(22)20-5-7-21(8-6-20)16-19-11-2-1-10(18)9-13(11)24-16/h1-4,9H,5-8H2.
What are the key properties of (5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 426.72 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 43982259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).