N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine

C24H24N2S — CID 68814745

IUPACN-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCC(NCCCc1csc(-c2ccccc2)n1)c1ccc2cccccc1-2
InChIInChI=1S/C24H24N2S/c1-18(22-15-14-19-9-4-3-7-13-23(19)22)25-16-8-12-21-17-27-24(26-21)20-10-5-2-6-11-20/h2-7,9-11,13-15,17-18,25H,8,12,16H2,1H3
InChIKeyIAEUUYSDRROSIH-UHFFFAOYSA-N
MW372.54 g/mol
LogP6.20
Rot. Bonds7

About N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine

N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine (PubChem CID 68814745) has the molecular formula C24H24N2S and a molecular weight of 372.54 g/mol. Its IUPAC name is N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine
PubChem CID68814745
Molecular FormulaC24H24N2S
Molecular Weight372.54 g/mol
Exact Mass372.17
IUPAC NameN-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine
SMILESCC(NCCCc1csc(-c2ccccc2)n1)c1ccc2cccccc1-2
InChIInChI=1S/C24H24N2S/c1-18(22-15-14-19-9-4-3-7-13-23(19)22)25-16-8-12-21-17-27-24(26-21)20-10-5-2-6-11-20/h2-7,9-11,13-15,17-18,25H,8,12,16H2,1H3
InChIKeyIAEUUYSDRROSIH-UHFFFAOYSA-N
XLogP6.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.54
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2,4-dichlorophenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 9254406
3-methyl-1-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butane-1,2-diamine
CID 83961285
N-(1-azulen-1-ylethyl)-3-(5-thiophen-2-yl-1,2-oxazol-4-yl)propan-1-amine
CID 68817706
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089531
(2S)-2-methylsulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 97030329
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
1-(2-phenyl-1,3-thiazol-4-yl)propan-2-ol
CID 115089425
2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888515
3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 82124643

Frequently Asked Questions

What is the IUPAC name of N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine (CID 68814745) is N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine is CC(NCCCc1csc(-c2ccccc2)n1)c1ccc2cccccc1-2.
What is the InChIKey of N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is IAEUUYSDRROSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2S/c1-18(22-15-14-19-9-4-3-7-13-23(19)22)25-16-8-12-21-17-27-24(26-21)20-10-5-2-6-11-20/h2-7,9-11,13-15,17-18,25H,8,12,16H2,1H3.
What are the key properties of N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine?
N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine has a molecular weight of 372.54 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azulen-1-ylethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 68814745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).