2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole

C26H27N3S — CID 14727012

IUPAC2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1
InChIInChI=1S/C26H27N3S/c1-20-27-25(19-30-20)23-11-9-21(10-12-23)13-14-28-15-17-29(18-16-28)26-8-4-6-22-5-2-3-7-24(22)26/h2-12,19H,13-18H2,1H3
InChIKeyPYMOZSUFJZTWLN-UHFFFAOYSA-N
MW413.59 g/mol
LogP5.64
Rot. Bonds5

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

2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole (PubChem CID 14727012) has the molecular formula C26H27N3S and a molecular weight of 413.59 g/mol. Its IUPAC name is 2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole
PubChem CID14727012
Molecular FormulaC26H27N3S
Molecular Weight413.59 g/mol
Exact Mass413.19
IUPAC Name2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1
InChIInChI=1S/C26H27N3S/c1-20-27-25(19-30-20)23-11-9-21(10-12-23)13-14-28-15-17-29(18-16-28)26-8-4-6-22-5-2-3-7-24(22)26/h2-12,19H,13-18H2,1H3
InChIKeyPYMOZSUFJZTWLN-UHFFFAOYSA-N
XLogP5.64
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.59
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole (CID 14727012) is 2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole is Cc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1.
What is the InChIKey of 2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole?
The InChIKey is PYMOZSUFJZTWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3S/c1-20-27-25(19-30-20)23-11-9-21(10-12-23)13-14-28-15-17-29(18-16-28)26-8-4-6-22-5-2-3-7-24(22)26/h2-12,19H,13-18H2,1H3.
What are the key properties of 2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole?
2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole has a molecular weight of 413.59 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 14727012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).