3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide

C24H24N4O2S2 — CID 15710737

IUPAC3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
SMILESO=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C24H24N4O2S2/c29-32(30)22-11-4-7-18-6-3-9-20(23(18)22)28(32)13-5-12-26-14-16-27(17-15-26)24-19-8-1-2-10-21(19)31-25-24/h1-4,6-11H,5,12-17H2
InChIKeyPADNXJNFCDTGTC-UHFFFAOYSA-N
MW464.62 g/mol
LogP4.17
Rot. Bonds5

About 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide

3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide (PubChem CID 15710737) has the molecular formula C24H24N4O2S2 and a molecular weight of 464.62 g/mol. Its IUPAC name is 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide.

Molecular Properties

Compound Name3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
PubChem CID15710737
Molecular FormulaC24H24N4O2S2
Molecular Weight464.62 g/mol
Exact Mass464.13
IUPAC Name3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
SMILESO=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2nsc3ccccc23)CC1
InChIInChI=1S/C24H24N4O2S2/c29-32(30)22-11-4-7-18-6-3-9-20(23(18)22)28(32)13-5-12-26-14-16-27(17-15-26)24-19-8-1-2-10-21(19)31-25-24/h1-4,6-11H,5,12-17H2
InChIKeyPADNXJNFCDTGTC-UHFFFAOYSA-N
XLogP4.17
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]naphthalene-2-sulfonamide
CID 56944564
N-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]naphthalene-2-sulfonamide
CID 66801229
N-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
CID 66800939
N-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-3-methylbenzenesulfonamide
CID 66801107
3-[3-[4-(1,1-Dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 15710738
N-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]-4-methyl-N-phenylbenzenesulfonamide
CID 156012823
N-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]naphthalene-1-sulfonamide
CID 156014079
3-[6-[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]hexyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide
CID 156016142
N-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]naphthalene-2-sulfonamide
CID 156019543
N-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 156020306
Spiro(2H-isoindole-2,1'-piperazinium), 4'-(1,2-benzisothiazol-3-yl)octahydro-, (3aR,7aR)-, methanesulfonate (1:1)
CID 71578599
3-[4-[(3S)-1-phenylpyrrolidin-3-yl]piperazin-1-yl]-1,2-benzothiazole
CID 171359024

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide?
The IUPAC name of 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide (CID 15710737) is 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide.
What is the SMILES notation for 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide?
The canonical SMILES for 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide is O=S1(=O)c2cccc3cccc(c23)N1CCCN1CCN(c2nsc3ccccc23)CC1.
What is the InChIKey of 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide?
The InChIKey is PADNXJNFCDTGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S2/c29-32(30)22-11-4-7-18-6-3-9-20(23(18)22)28(32)13-5-12-26-14-16-27(17-15-26)24-19-8-1-2-10-21(19)31-25-24/h1-4,6-11H,5,12-17H2.
What are the key properties of 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide?
3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide has a molecular weight of 464.62 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]propyl]-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene 2,2-dioxide is sourced from PubChem (CID 15710737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).