6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine

C22H27FN4S — CID 151946807

IUPAC6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine
SMILESCC(C)c1ccccc1N1CCN(CCNc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C22H27FN4S/c1-16(2)18-5-3-4-6-20(18)27-13-11-26(12-14-27)10-9-24-22-25-19-8-7-17(23)15-21(19)28-22/h3-8,15-16H,9-14H2,1-2H3,(H,24,25)
InChIKeyTVUXHQAEVGNHCN-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.79
Rot. Bonds6

About 6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine

6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine (PubChem CID 151946807) has the molecular formula C22H27FN4S and a molecular weight of 398.55 g/mol. Its IUPAC name is 6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine
PubChem CID151946807
Molecular FormulaC22H27FN4S
Molecular Weight398.55 g/mol
Exact Mass398.19
IUPAC Name6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine
SMILESCC(C)c1ccccc1N1CCN(CCNc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C22H27FN4S/c1-16(2)18-5-3-4-6-20(18)27-13-11-26(12-14-27)10-9-24-22-25-19-8-7-17(23)15-21(19)28-22/h3-8,15-16H,9-14H2,1-2H3,(H,24,25)
InChIKeyTVUXHQAEVGNHCN-UHFFFAOYSA-N
XLogP4.79
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-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

6-fluoro-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;hydrobromide
CID 18460630
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride
CID 18460654
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
6-fluoro-N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 107817006
6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine
CID 79143974
6-fluoro-N-(3-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113487886
N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144067
6-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[2-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 161011619
N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 113479111
N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144535
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191684
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine (CID 151946807) is 6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine is CC(C)c1ccccc1N1CCN(CCNc2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of 6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is TVUXHQAEVGNHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4S/c1-16(2)18-5-3-4-6-20(18)27-13-11-26(12-14-27)10-9-24-22-25-19-8-7-17(23)15-21(19)28-22/h3-8,15-16H,9-14H2,1-2H3,(H,24,25).
What are the key properties of 6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine?
6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 398.55 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 151946807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).