4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole

C15H14ClN3O2S3 — CID 16937994

IUPAC4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole
SMILESO=S(=O)(c1cccs1)N1CCN(c2nc3c(Cl)cccc3s2)CC1
InChIInChI=1S/C15H14ClN3O2S3/c16-11-3-1-4-12-14(11)17-15(23-12)18-6-8-19(9-7-18)24(20,21)13-5-2-10-22-13/h1-5,10H,6-9H2
InChIKeyJNKBDWISPKKVTA-UHFFFAOYSA-N
MW399.95 g/mol
LogP3.52
Rot. Bonds3

About 4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole

4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole (PubChem CID 16937994) has the molecular formula C15H14ClN3O2S3 and a molecular weight of 399.95 g/mol. Its IUPAC name is 4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole
PubChem CID16937994
Molecular FormulaC15H14ClN3O2S3
Molecular Weight399.95 g/mol
Exact Mass398.99
IUPAC Name4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole
SMILESO=S(=O)(c1cccs1)N1CCN(c2nc3c(Cl)cccc3s2)CC1
InChIInChI=1S/C15H14ClN3O2S3/c16-11-3-1-4-12-14(11)17-15(23-12)18-6-8-19(9-7-18)24(20,21)13-5-2-10-22-13/h1-5,10H,6-9H2
InChIKeyJNKBDWISPKKVTA-UHFFFAOYSA-N
XLogP3.52
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.95
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 16937776
[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 16803642
6-methylsulfanyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole
CID 16938008
2-thiophen-2-yl-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3,4-thiadiazole
CID 108780934
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 32678883
1-thiophen-2-ylsulfonylpiperidine
CID 765823
2-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanamine
CID 82167648
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7539499
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 90606924
3-(benzenesulfonyl)-1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one
CID 26843264
[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanone
CID 16803680
1-thiophen-2-ylsulfonylpiperazin-4-ium
CID 7016013

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole?
The IUPAC name of 4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole (CID 16937994) is 4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole is O=S(=O)(c1cccs1)N1CCN(c2nc3c(Cl)cccc3s2)CC1.
What is the InChIKey of 4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole?
The InChIKey is JNKBDWISPKKVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S3/c16-11-3-1-4-12-14(11)17-15(23-12)18-6-8-19(9-7-18)24(20,21)13-5-2-10-22-13/h1-5,10H,6-9H2.
What are the key properties of 4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole?
4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole has a molecular weight of 399.95 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 16937994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).