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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Related Compounds

2-Thiazolamine, N-(5-ethyl-2,4-dimethylphenyl)-4-(3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)-
CID 46853593
3-{Imidazo[2,1-b][1,3]thiazol-6-yl}aniline
CID 3312672
Pifithrin-Beta
CID 443278
6-(4-Fluorophenyl)-5-pyridin-4-ylimidazo[2,1-b][1,3]thiazole
CID 19022684
4-[2-[(Dimethylamino)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
CID 44579299
Sdccgsbi-0096861.P001
CID 3805128
4-[2-(6-Phenylimidazo[2,1-b][1,3]thiazol-5-yl)vinyl]-2-pyrimidinamine
CID 5916724
3-phenyl-N-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]-4-(1,3-thiazol-5-yl)aniline
CID 10097444
1-(9H-fluoren-9-yl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)urea
CID 117967998
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2-phenylethanamine
CID 142505357
2-(4-chlorophenyl)-N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 142505364
N-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-2,3-dihydro-1H-inden-2-amine
CID 142505382

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).