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

C26H28N4S — CID 14726996

IUPAC5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc(CCN2CCN(c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H28N4S/c1-19-25(28-26(27)31-19)22-11-9-20(10-12-22)13-14-29-15-17-30(18-16-29)24-8-4-6-21-5-2-3-7-23(21)24/h2-12H,13-18H2,1H3,(H2,27,28)
InChIKeyIBCPOBSZTPUMBP-UHFFFAOYSA-N
MW428.61 g/mol
LogP5.22
Rot. Bonds5

About 5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine

5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine (PubChem CID 14726996) has the molecular formula C26H28N4S and a molecular weight of 428.61 g/mol. Its IUPAC name is 5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine
PubChem CID14726996
Molecular FormulaC26H28N4S
Molecular Weight428.61 g/mol
Exact Mass428.20
IUPAC Name5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc(CCN2CCN(c3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H28N4S/c1-19-25(28-26(27)31-19)22-11-9-20(10-12-22)13-14-29-15-17-30(18-16-29)24-8-4-6-21-5-2-3-7-23(21)24/h2-12H,13-18H2,1H3,(H2,27,28)
InChIKeyIBCPOBSZTPUMBP-UHFFFAOYSA-N
XLogP5.22
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.61
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine (CID 14726996) is 5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1ccc(CCN2CCN(c3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is IBCPOBSZTPUMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4S/c1-19-25(28-26(27)31-19)22-11-9-20(10-12-22)13-14-29-15-17-30(18-16-29)24-8-4-6-21-5-2-3-7-23(21)24/h2-12H,13-18H2,1H3,(H2,27,28).
What are the key properties of 5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine?
5-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 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 14726996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).