N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide

C24H29N5OS — CID 11797166

IUPACN-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide
SMILESO=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2c1NCC2
InChIInChI=1S/C24H29N5OS/c30-24(20-8-5-6-18-10-12-25-22(18)20)26-11-3-4-13-28-14-16-29(17-15-28)23-19-7-1-2-9-21(19)31-27-23/h1-2,5-9,25H,3-4,10-17H2,(H,26,30)
InChIKeyVIHHTBYBRANJQC-UHFFFAOYSA-N
MW435.60 g/mol
LogP3.60
Rot. Bonds7

About N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide

N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide (PubChem CID 11797166) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide
PubChem CID11797166
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC NameN-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide
SMILESO=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2c1NCC2
InChIInChI=1S/C24H29N5OS/c30-24(20-8-5-6-18-10-12-25-22(18)20)26-11-3-4-13-28-14-16-29(17-15-28)23-19-7-1-2-9-21(19)31-27-23/h1-2,5-9,25H,3-4,10-17H2,(H,26,30)
InChIKeyVIHHTBYBRANJQC-UHFFFAOYSA-N
XLogP3.60
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide with MolForge

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Related Compounds

Ziprasidone Impurity 10
CID 10150465
5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-3,3-dimethyl-1,3-dihydro-indol-2-one
CID 10669085
5-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-6-fluoro-1,3-dihydro-indol-2-one
CID 10692136
1192U90
CID 127912
N-[4-{4-(1,2-benzisothiazol-3-yl)-1-piperazinyl}butyl]phthalimide
CID 10093606
8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 10367367
8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 10432760
3-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-3H-quinazolin-4-one
CID 10454774
3-Amino-benzo[b]thiophene-2-carboxylic acid [4-(4-benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-amide
CID 10576148
2-[4-[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 14096630
2-[6-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-hexyl]-isoindole-1,3-dione
CID 44286416
8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-ethyl]-4-methyl-3,4-dihydro-1H-quinolin-2-one
CID 44404437

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide?
The IUPAC name of N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide (CID 11797166) is N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide.
What is the SMILES notation for N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide?
The canonical SMILES for N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide is O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1cccc2c1NCC2.
What is the InChIKey of N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide?
The InChIKey is VIHHTBYBRANJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c30-24(20-8-5-6-18-10-12-25-22(18)20)26-11-3-4-13-28-14-16-29(17-15-28)23-19-7-1-2-9-21(19)31-27-23/h1-2,5-9,25H,3-4,10-17H2,(H,26,30).
What are the key properties of N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide?
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide has a molecular weight of 435.60 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2,3-dihydro-1H-indole-7-carboxamide is sourced from PubChem (CID 11797166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).