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

C26H28N4S — CID 14727008

IUPACN-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1
InChIInChI=1S/C26H28N4S/c1-27-26-28-24(19-31-26)22-11-9-20(10-12-22)13-14-29-15-17-30(18-16-29)25-8-4-6-21-5-2-3-7-23(21)25/h2-12,19H,13-18H2,1H3,(H,27,28)
InChIKeyNMRBIVALVIFCPC-UHFFFAOYSA-N
MW428.61 g/mol
LogP5.37
Rot. Bonds6

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

N-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine (PubChem CID 14727008) has the molecular formula C26H28N4S and a molecular weight of 428.61 g/mol. Its IUPAC name is N-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine
PubChem CID14727008
Molecular FormulaC26H28N4S
Molecular Weight428.61 g/mol
Exact Mass428.20
IUPAC NameN-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1
InChIInChI=1S/C26H28N4S/c1-27-26-28-24(19-31-26)22-11-9-20(10-12-22)13-14-29-15-17-30(18-16-29)25-8-4-6-21-5-2-3-7-23(21)25/h2-12,19H,13-18H2,1H3,(H,27,28)
InChIKeyNMRBIVALVIFCPC-UHFFFAOYSA-N
XLogP5.37
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.61
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine (CID 14727008) is N-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine is CNc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1.
What is the InChIKey of N-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is NMRBIVALVIFCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4S/c1-27-26-28-24(19-31-26)22-11-9-20(10-12-22)13-14-29-15-17-30(18-16-29)25-8-4-6-21-5-2-3-7-23(21)25/h2-12,19H,13-18H2,1H3,(H,27,28).
What are the key properties of N-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine?
N-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 428.61 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 14727008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).