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

C16H18N2O3S — CID 125130299

IUPAC4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine
SMILESc1cc2c(cc1-c1csc(CN3CCOCC3)n1)OCCO2
InChIInChI=1S/C16H18N2O3S/c1-2-14-15(21-8-7-20-14)9-12(1)13-11-22-16(17-13)10-18-3-5-19-6-4-18/h1-2,9,11H,3-8,10H2
InChIKeyGOIPXWBVGAUMMY-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.41
Rot. Bonds3

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

4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine (PubChem CID 125130299) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine
PubChem CID125130299
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine
SMILESc1cc2c(cc1-c1csc(CN3CCOCC3)n1)OCCO2
InChIInChI=1S/C16H18N2O3S/c1-2-14-15(21-8-7-20-14)9-12(1)13-11-22-16(17-13)10-18-3-5-19-6-4-18/h1-2,9,11H,3-8,10H2
InChIKeyGOIPXWBVGAUMMY-UHFFFAOYSA-N
XLogP2.41
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine with MolForge

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Related Compounds

4-(1,3-benzodioxol-5-yl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566810
[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-hydroxy-5-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]benzamide
CID 131963040
1-[4-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]phenyl]ethanone
CID 21135766
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3880406
6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 131960408
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
1-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]ethanamine
CID 5160609
4-[[4-(5-methyl-1,3-oxazol-4-yl)-1,3-thiazol-2-yl]methyl]morpholine
CID 138047211
4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566788
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazole-2-carboxylic acid
CID 79566785

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine (CID 125130299) is 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine is c1cc2c(cc1-c1csc(CN3CCOCC3)n1)OCCO2.
What is the InChIKey of 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine?
The InChIKey is GOIPXWBVGAUMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-2-14-15(21-8-7-20-14)9-12(1)13-11-22-16(17-13)10-18-3-5-19-6-4-18/h1-2,9,11H,3-8,10H2.
What are the key properties of 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine?
4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine has a molecular weight of 318.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methyl]morpholine is sourced from PubChem (CID 125130299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).