N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine

C17H23N3S — CID 62767498

IUPACN-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2Cc3ccccc3C2)nc1CC
InChIInChI=1S/C17H23N3S/c1-3-9-18-10-16-15(4-2)19-17(21-16)20-11-13-7-5-6-8-14(13)12-20/h5-8,18H,3-4,9-12H2,1-2H3
InChIKeyKTGUVLNOSWFNLI-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.73
Rot. Bonds6

About N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 62767498) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID62767498
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2Cc3ccccc3C2)nc1CC
InChIInChI=1S/C17H23N3S/c1-3-9-18-10-16-15(4-2)19-17(21-16)20-11-13-7-5-6-8-14(13)12-20/h5-8,18H,3-4,9-12H2,1-2H3
InChIKeyKTGUVLNOSWFNLI-UHFFFAOYSA-N
XLogP3.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.73
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

N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79381940
N-[[4-ethyl-2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967451
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55113238
N-[[4-ethyl-2-(2-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62769163
N-[[4-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62968144
N-[[4-ethyl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968519
N-[[4-(methoxymethyl)-2-piperidin-1-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114366314
N-[[3-chloro-6-(1,3-dihydroisoindol-2-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62285900
N-[[2-(azepan-1-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 62765034
N,4-diethyl-N-phenyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766568
N-[[4-(methoxymethyl)-2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107509491
N-[[2-(4,4-dimethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 107510301

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 62767498) is N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(N2Cc3ccccc3C2)nc1CC.
What is the InChIKey of N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is KTGUVLNOSWFNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-3-9-18-10-16-15(4-2)19-17(21-16)20-11-13-7-5-6-8-14(13)12-20/h5-8,18H,3-4,9-12H2,1-2H3.
What are the key properties of N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 62767498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).