N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine

C24H21N3S — CID 142505435

IUPACN-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine
SMILESc1ccc(CCNCc2c(-c3ccc4ccccc4c3)nc3sccn23)cc1
InChIInChI=1S/C24H21N3S/c1-2-6-18(7-3-1)12-13-25-17-22-23(26-24-27(22)14-15-28-24)21-11-10-19-8-4-5-9-20(19)16-21/h1-11,14-16,25H,12-13,17H2
InChIKeyKWYAPWLSFJOVOW-UHFFFAOYSA-N
MW383.52 g/mol
LogP5.55
Rot. Bonds6

About N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine

N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine (PubChem CID 142505435) has the molecular formula C24H21N3S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine
PubChem CID142505435
Molecular FormulaC24H21N3S
Molecular Weight383.52 g/mol
Exact Mass383.15
IUPAC NameN-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine
SMILESc1ccc(CCNCc2c(-c3ccc4ccccc4c3)nc3sccn23)cc1
InChIInChI=1S/C24H21N3S/c1-2-6-18(7-3-1)12-13-25-17-22-23(26-24-27(22)14-15-28-24)21-11-10-19-8-4-5-9-20(19)16-21/h1-11,14-16,25H,12-13,17H2
InChIKeyKWYAPWLSFJOVOW-UHFFFAOYSA-N
XLogP5.55
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine (CID 142505435) is N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine is c1ccc(CCNCc2c(-c3ccc4ccccc4c3)nc3sccn23)cc1.
What is the InChIKey of N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine?
The InChIKey is KWYAPWLSFJOVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3S/c1-2-6-18(7-3-1)12-13-25-17-22-23(26-24-27(22)14-15-28-24)21-11-10-19-8-4-5-9-20(19)16-21/h1-11,14-16,25H,12-13,17H2.
What are the key properties of N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine?
N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine has a molecular weight of 383.52 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-phenylethanamine is sourced from PubChem (CID 142505435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).