2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane

C23H37N5OS — CID 143404437

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane
SMILESCCC.CCCN1CCN(C(=O)CN2CCN(c3nc4ccccc4s3)CC2)CC1
InChIInChI=1S/C20H29N5OS.C3H8/c1-2-7-22-8-12-24(13-9-22)19(26)16-23-10-14-25(15-11-23)20-21-17-5-3-4-6-18(17)27-20;1-3-2/h3-6H,2,7-16H2,1H3;3H2,1-2H3
InChIKeyUJJIMMGYLCFMAG-UHFFFAOYSA-N
MW431.65 g/mol
LogP3.39
Rot. Bonds5

About 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane

2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane (PubChem CID 143404437) has the molecular formula C23H37N5OS and a molecular weight of 431.65 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane
PubChem CID143404437
Molecular FormulaC23H37N5OS
Molecular Weight431.65 g/mol
Exact Mass431.27
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane
SMILESCCC.CCCN1CCN(C(=O)CN2CCN(c3nc4ccccc4s3)CC2)CC1
InChIInChI=1S/C20H29N5OS.C3H8/c1-2-7-22-8-12-24(13-9-22)19(26)16-23-10-14-25(15-11-23)20-21-17-5-3-4-6-18(17)27-20;1-3-2/h3-6H,2,7-16H2,1H3;3H2,1-2H3
InChIKeyUJJIMMGYLCFMAG-UHFFFAOYSA-N
XLogP3.39
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.65
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane with MolForge

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Related Compounds

2-amino-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 24760998
butyl 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]acetate
CID 78823510
methyl 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propanoate
CID 78982803
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 74652907
2-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62824679
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-chlorophenyl)ethanone
CID 616020
2-[4-(2-chloroethyl)piperazin-1-yl]-1,3-benzothiazole
CID 63392325
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 78823408
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7136377
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 32680776
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 34042322
3-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 72902809

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane (CID 143404437) is 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane is CCC.CCCN1CCN(C(=O)CN2CCN(c3nc4ccccc4s3)CC2)CC1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane?
The InChIKey is UJJIMMGYLCFMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5OS.C3H8/c1-2-7-22-8-12-24(13-9-22)19(26)16-23-10-14-25(15-11-23)20-21-17-5-3-4-6-18(17)27-20;1-3-2/h3-6H,2,7-16H2,1H3;3H2,1-2H3.
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane?
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane has a molecular weight of 431.65 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane is sourced from PubChem (CID 143404437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).