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

C15H18N2O2S — CID 65351521

IUPACN-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2COc3ccccc3O2)s1
InChIInChI=1S/C15H18N2O2S/c1-10(2)16-7-11-8-17-15(20-11)14-9-18-12-5-3-4-6-13(12)19-14/h3-6,8,10,14,16H,7,9H2,1-2H3
InChIKeyJVDOIKSETQOJLC-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.15
Rot. Bonds4

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

N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 65351521) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID65351521
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(C2COc3ccccc3O2)s1
InChIInChI=1S/C15H18N2O2S/c1-10(2)16-7-11-8-17-15(20-11)14-9-18-12-5-3-4-6-13(12)19-14/h3-6,8,10,14,16H,7,9H2,1-2H3
InChIKeyJVDOIKSETQOJLC-UHFFFAOYSA-N
XLogP3.15
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137759
N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79088240
N-[[2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79973764
N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001
N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 65351880
1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65352108
(2S)-1-[[(1R)-1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]amino]-3-(propan-2-ylamino)propan-2-ol
CID 124776136
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole
CID 63383797
N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63512881
(3R)-3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 103854799
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 43204657

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 65351521) is N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(C2COc3ccccc3O2)s1.
What is the InChIKey of N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is JVDOIKSETQOJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)16-7-11-8-17-15(20-11)14-9-18-12-5-3-4-6-13(12)19-14/h3-6,8,10,14,16H,7,9H2,1-2H3.
What are the key properties of N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 290.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 65351521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).