4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine

C25H26N4S — CID 14726992

IUPAC4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1
InChIInChI=1S/C25H26N4S/c26-25-27-23(18-30-25)21-10-8-19(9-11-21)12-13-28-14-16-29(17-15-28)24-7-3-5-20-4-1-2-6-22(20)24/h1-11,18H,12-17H2,(H2,26,27)
InChIKeyIHLXCIWXJLTTDK-UHFFFAOYSA-N
MW414.58 g/mol
LogP4.91
Rot. Bonds5

About 4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine

4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine (PubChem CID 14726992) has the molecular formula C25H26N4S and a molecular weight of 414.58 g/mol. Its IUPAC name is 4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine
PubChem CID14726992
Molecular FormulaC25H26N4S
Molecular Weight414.58 g/mol
Exact Mass414.19
IUPAC Name4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1
InChIInChI=1S/C25H26N4S/c26-25-27-23(18-30-25)21-10-8-19(9-11-21)12-13-28-14-16-29(17-15-28)24-7-3-5-20-4-1-2-6-22(20)24/h1-11,18H,12-17H2,(H2,26,27)
InChIKeyIHLXCIWXJLTTDK-UHFFFAOYSA-N
XLogP4.91
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine (CID 14726992) is 4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1.
What is the InChIKey of 4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is IHLXCIWXJLTTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4S/c26-25-27-23(18-30-25)21-10-8-19(9-11-21)12-13-28-14-16-29(17-15-28)24-7-3-5-20-4-1-2-6-22(20)24/h1-11,18H,12-17H2,(H2,26,27).
What are the key properties of 4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine?
4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 414.58 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 14726992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).