N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide

C23H32N4OS — CID 134143778

IUPACN-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1)C1CC1
InChIInChI=1S/C23H32N4OS/c28-23(18-7-8-18)24-19-9-5-17(6-10-19)11-12-26-13-15-27(16-14-26)22-20-3-1-2-4-21(20)29-25-22/h1-4,17-19H,5-16H2,(H,24,28)
InChIKeyLBNGJZBDUWZGLH-UHFFFAOYSA-N
MW412.60 g/mol
LogP3.89
Rot. Bonds6

About N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide

N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide (PubChem CID 134143778) has the molecular formula C23H32N4OS and a molecular weight of 412.60 g/mol. Its IUPAC name is N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
PubChem CID134143778
Molecular FormulaC23H32N4OS
Molecular Weight412.60 g/mol
Exact Mass412.23
IUPAC NameN-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1)C1CC1
InChIInChI=1S/C23H32N4OS/c28-23(18-7-8-18)24-19-9-5-17(6-10-19)11-12-26-13-15-27(16-14-26)22-20-3-1-2-4-21(20)29-25-22/h1-4,17-19H,5-16H2,(H,24,28)
InChIKeyLBNGJZBDUWZGLH-UHFFFAOYSA-N
XLogP3.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide (CID 134143778) is N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide is O=C(NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1)C1CC1.
What is the InChIKey of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
The InChIKey is LBNGJZBDUWZGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4OS/c28-23(18-7-8-18)24-19-9-5-17(6-10-19)11-12-26-13-15-27(16-14-26)22-20-3-1-2-4-21(20)29-25-22/h1-4,17-19H,5-16H2,(H,24,28).
What are the key properties of N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide has a molecular weight of 412.60 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 134143778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).