4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine

C28H38N6S — CID 118709437

IUPAC4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(CCN3CCN(CCCN4CCN(c5ccccc5)CC4)CC3)cc2)cs1
InChIInChI=1S/C28H38N6S/c29-28-30-27(23-35-28)25-9-7-24(8-10-25)11-14-33-17-15-31(16-18-33)12-4-13-32-19-21-34(22-20-32)26-5-2-1-3-6-26/h1-3,5-10,23H,4,11-22H2,(H2,29,30)
InChIKeyVESLVYPBOIQHHW-UHFFFAOYSA-N
MW490.72 g/mol
LogP3.76
Rot. Bonds9

About 4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine

4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine (PubChem CID 118709437) has the molecular formula C28H38N6S and a molecular weight of 490.72 g/mol. Its IUPAC name is 4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine
PubChem CID118709437
Molecular FormulaC28H38N6S
Molecular Weight490.72 g/mol
Exact Mass490.29
IUPAC Name4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(CCN3CCN(CCCN4CCN(c5ccccc5)CC4)CC3)cc2)cs1
InChIInChI=1S/C28H38N6S/c29-28-30-27(23-35-28)25-9-7-24(8-10-25)11-14-33-17-15-31(16-18-33)12-4-13-32-19-21-34(22-20-32)26-5-2-1-3-6-26/h1-3,5-10,23H,4,11-22H2,(H2,29,30)
InChIKeyVESLVYPBOIQHHW-UHFFFAOYSA-N
XLogP3.76
TPSA51.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.72
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-(4-Benzylphenyl)thiazol-2-amine
CID 3768902
(S)-N6-(2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
CID 24866612
(-)-N6-(2-(4-(Biphenyl-4-yl)piperazin-1-yl)-ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
CID 24936081
4-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)thiazol-2-amine
CID 11633992
4-{4-[4-(4-Phenyl-piperazin-1-yl)-butyl]-phenyl}-thiazol-2-ylamine
CID 14211445
4-(4-(2-(4-(1-Naphthyl)piperazinyl)ethyl)phenyl)-2-aminothiazole
CID 14726992
4-(4-(2-(4-(1-Naphthyl)piperazinyl)ethyl)phenyl)-2-amino-5-methylthiazole
CID 14726996
4-(4-(2-(4-(1-Naphthyl)piperazinyl)ethyl)phenyl)-2-methylaminothiazole
CID 14727008
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 89423092
2-N,2-N-dimethyl-6-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-diamine
CID 89423176
2-Thiazolamine, 4-(4-methylphenyl)-N-phenyl-
CID 622357
4-(4-(1-Pyrrolidinyl)Phenyl)-1,3-Thiazol-2-Ylamine
CID 18526123

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine (CID 118709437) is 4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccc(CCN3CCN(CCCN4CCN(c5ccccc5)CC4)CC3)cc2)cs1.
What is the InChIKey of 4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is VESLVYPBOIQHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6S/c29-28-30-27(23-35-28)25-9-7-24(8-10-25)11-14-33-17-15-31(16-18-33)12-4-13-32-19-21-34(22-20-32)26-5-2-1-3-6-26/h1-3,5-10,23H,4,11-22H2,(H2,29,30).
What are the key properties of 4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine?
4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 490.72 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-[3-(4-phenylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118709437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).