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

C24H27N5OS — CID 10717656

IUPACN-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
SMILESO=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H27N5OS/c30-24(20-17-26-21-9-3-1-7-18(20)21)25-11-5-6-12-28-13-15-29(16-14-28)23-19-8-2-4-10-22(19)31-27-23/h1-4,7-10,17,26H,5-6,11-16H2,(H,25,30)
InChIKeyNTTCFOLAAJRIDE-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.11
Rot. Bonds7

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

N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide (PubChem CID 10717656) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
PubChem CID10717656
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC NameN-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide
SMILESO=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H27N5OS/c30-24(20-17-26-21-9-3-1-7-18(20)21)25-11-5-6-12-28-13-15-29(16-14-28)23-19-8-2-4-10-22(19)31-27-23/h1-4,7-10,17,26H,5-6,11-16H2,(H,25,30)
InChIKeyNTTCFOLAAJRIDE-UHFFFAOYSA-N
XLogP4.11
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide (CID 10717656) is N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide is O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide?
The InChIKey is NTTCFOLAAJRIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c30-24(20-17-26-21-9-3-1-7-18(20)21)25-11-5-6-12-28-13-15-29(16-14-28)23-19-8-2-4-10-22(19)31-27-23/h1-4,7-10,17,26H,5-6,11-16H2,(H,25,30).
What are the key properties of N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide?
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 10717656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).