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

C17H23N3S — CID 79381940

IUPACN-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2Cc3ccccc3C2)nc1C(C)C
InChIInChI=1S/C17H23N3S/c1-4-18-9-15-16(12(2)3)19-17(21-15)20-10-13-7-5-6-8-14(13)11-20/h5-8,12,18H,4,9-11H2,1-3H3
InChIKeyQLXLJWWSKUKEEN-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.90
Rot. Bonds5

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

N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 79381940) 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-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID79381940
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2Cc3ccccc3C2)nc1C(C)C
InChIInChI=1S/C17H23N3S/c1-4-18-9-15-16(12(2)3)19-17(21-15)20-10-13-7-5-6-8-14(13)11-20/h5-8,12,18H,4,9-11H2,1-3H3
InChIKeyQLXLJWWSKUKEEN-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1,3-dihydroisoindol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62767498
N-[[2-(4-cyclopropylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79380919
N-[[2-(4-ethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79383413
N-[[2-(2,3-dihydro-1-benzofuran-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365037
1-[5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 79392943
N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79393593
N-[[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79392603
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79392674
1-[5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylpiperidin-3-amine
CID 79382946
N-[[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79393289
N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79382698
N-[[2-(3,4-dimethylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79393677

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine (CID 79381940) is N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2Cc3ccccc3C2)nc1C(C)C.
What is the InChIKey of N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is QLXLJWWSKUKEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-4-18-9-15-16(12(2)3)19-17(21-15)20-10-13-7-5-6-8-14(13)11-20/h5-8,12,18H,4,9-11H2,1-3H3.
What are the key properties of N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(1,3-dihydroisoindol-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 301.46 g/mol, XLogP of 3.90, 5 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-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79381940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).