4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine

C22H26N4S — CID 14857725

IUPAC4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(CCCN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C22H26N4S/c23-22-24-21(18-8-3-1-4-9-18)20(27-22)12-7-13-25-14-16-26(17-15-25)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2,(H2,23,24)
InChIKeyJJVQJRPVJDHMOQ-UHFFFAOYSA-N
MW378.55 g/mol
LogP4.15
Rot. Bonds6

About 4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine

4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine (PubChem CID 14857725) has the molecular formula C22H26N4S and a molecular weight of 378.55 g/mol. Its IUPAC name is 4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine
PubChem CID14857725
Molecular FormulaC22H26N4S
Molecular Weight378.55 g/mol
Exact Mass378.19
IUPAC Name4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2)c(CCCN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C22H26N4S/c23-22-24-21(18-8-3-1-4-9-18)20(27-22)12-7-13-25-14-16-26(17-15-25)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2,(H2,23,24)
InChIKeyJJVQJRPVJDHMOQ-UHFFFAOYSA-N
XLogP4.15
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine (CID 14857725) is 4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2)c(CCCN2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of 4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine?
The InChIKey is JJVQJRPVJDHMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4S/c23-22-24-21(18-8-3-1-4-9-18)20(27-22)12-7-13-25-14-16-26(17-15-25)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2,(H2,23,24).
What are the key properties of 4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine?
4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine has a molecular weight of 378.55 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 14857725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).