6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine

C24H32N4S — CID 71170010

IUPAC6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine
SMILESCC(C)C(N)(CCCN1CCN(c2nc3ccccc3s2)CC1)c1ccccc1
InChIInChI=1S/C24H32N4S/c1-19(2)24(25,20-9-4-3-5-10-20)13-8-14-27-15-17-28(18-16-27)23-26-21-11-6-7-12-22(21)29-23/h3-7,9-12,19H,8,13-18,25H2,1-2H3
InChIKeyJMYDREURJAEWMA-UHFFFAOYSA-N
MW408.62 g/mol
LogP4.71
Rot. Bonds7

About 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine

6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine (PubChem CID 71170010) has the molecular formula C24H32N4S and a molecular weight of 408.62 g/mol. Its IUPAC name is 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine.

Molecular Properties

Compound Name6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine
PubChem CID71170010
Molecular FormulaC24H32N4S
Molecular Weight408.62 g/mol
Exact Mass408.23
IUPAC Name6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine
SMILESCC(C)C(N)(CCCN1CCN(c2nc3ccccc3s2)CC1)c1ccccc1
InChIInChI=1S/C24H32N4S/c1-19(2)24(25,20-9-4-3-5-10-20)13-8-14-27-15-17-28(18-16-27)23-26-21-11-6-7-12-22(21)29-23/h3-7,9-12,19H,8,13-18,25H2,1-2H3
InChIKeyJMYDREURJAEWMA-UHFFFAOYSA-N
XLogP4.71
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.62
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine 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

3-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 60869878
2-[4-(2-chloroethyl)piperazin-1-yl]-1,3-benzothiazole
CID 63392325
methyl 3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]propanoate
CID 78982803
2-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-1,3-benzothiazole
CID 11725902
2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1,3-benzothiazole
CID 37101288
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 74652907
2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-(4-propylpiperazin-1-yl)ethanone;propane
CID 143404437
6-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-2-methyl-3-(2-methylphenyl)hexan-3-amine
CID 71170017
2-[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]acetic acid
CID 62824679
2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 155942124
butyl 2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]acetate
CID 78823510
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine?
The IUPAC name of 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine (CID 71170010) is 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine.
What is the SMILES notation for 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine?
The canonical SMILES for 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine is CC(C)C(N)(CCCN1CCN(c2nc3ccccc3s2)CC1)c1ccccc1.
What is the InChIKey of 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine?
The InChIKey is JMYDREURJAEWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4S/c1-19(2)24(25,20-9-4-3-5-10-20)13-8-14-27-15-17-28(18-16-27)23-26-21-11-6-7-12-22(21)29-23/h3-7,9-12,19H,8,13-18,25H2,1-2H3.
What are the key properties of 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine?
6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine has a molecular weight of 408.62 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methyl-3-phenylhexan-3-amine is sourced from PubChem (CID 71170010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).