1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine

C20H20N2O3S — CID 134081937

IUPAC1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine
SMILESNC(COCc1ccccc1)c1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C20H20N2O3S/c21-16(12-23-11-14-4-2-1-3-5-14)20-22-17(13-26-20)15-6-7-18-19(10-15)25-9-8-24-18/h1-7,10,13,16H,8-9,11-12,21H2
InChIKeyDDQFXENMMJWZFW-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.80
Rot. Bonds6

About 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine

1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine (PubChem CID 134081937) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine
PubChem CID134081937
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine
SMILESNC(COCc1ccccc1)c1nc(-c2ccc3c(c2)OCCO3)cs1
InChIInChI=1S/C20H20N2O3S/c21-16(12-23-11-14-4-2-1-3-5-14)20-22-17(13-26-20)15-6-7-18-19(10-15)25-9-8-24-18/h1-7,10,13,16H,8-9,11-12,21H2
InChIKeyDDQFXENMMJWZFW-UHFFFAOYSA-N
XLogP3.80
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 5160609
2-phenylmethoxy-1-[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 134081933
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 61336845
2-amino-2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]ethanol
CID 116966779
[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-phenylmethanol
CID 46943636
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenyl-1,3-thiazole
CID 9320259
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methanethiol
CID 116965872
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970173
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 62651876
1-[4-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine
CID 134081930
2-chloro-1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanone
CID 83969143

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine?
The IUPAC name of 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine (CID 134081937) is 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine.
What is the SMILES notation for 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine?
The canonical SMILES for 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine is NC(COCc1ccccc1)c1nc(-c2ccc3c(c2)OCCO3)cs1.
What is the InChIKey of 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine?
The InChIKey is DDQFXENMMJWZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c21-16(12-23-11-14-4-2-1-3-5-14)20-22-17(13-26-20)15-6-7-18-19(10-15)25-9-8-24-18/h1-7,10,13,16H,8-9,11-12,21H2.
What are the key properties of 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine?
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine has a molecular weight of 368.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-phenylmethoxyethanamine is sourced from PubChem (CID 134081937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).