1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine

C18H18N2O3S — CID 67437021

IUPAC1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
SMILESCOCC1SC(N)=NC12c1ccccc1Oc1cccc(OC)c12
InChIInChI=1S/C18H18N2O3S/c1-21-10-15-18(20-17(19)24-15)11-6-3-4-7-12(11)23-14-9-5-8-13(22-2)16(14)18/h3-9,15H,10H2,1-2H3,(H2,19,20)
InChIKeyOAYLOFHNASBEEK-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.12
Rot. Bonds3

About 1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine

1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine (PubChem CID 67437021) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
PubChem CID67437021
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
SMILESCOCC1SC(N)=NC12c1ccccc1Oc1cccc(OC)c12
InChIInChI=1S/C18H18N2O3S/c1-21-10-15-18(20-17(19)24-15)11-6-3-4-7-12(11)23-14-9-5-8-13(22-2)16(14)18/h3-9,15H,10H2,1-2H3,(H2,19,20)
InChIKeyOAYLOFHNASBEEK-UHFFFAOYSA-N
XLogP3.12
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4aR,6S,8aS)-8a-(2-methoxyphenyl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 145965420
6',6'-Dimethyl-2'-(methylsulfanyl)-2-phenyl-1',4',5',6'-tetrahydrospiro(chromane-4,4'-pyrimidine)-7-ol
CID 631873
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(4-ethoxyphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 78321688
4-Methyl-4-[3-(3-phenylpropoxy)phenyl]-5,6-dihydro-1,3-thiazin-2-amine
CID 57627409
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(2-methoxyphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 78321373
(4aR,8aS)-8a-(2-methoxyphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 71268733
(4aS,8aS)-8a-[2-(trifluoromethoxy)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine
CID 57827139
7-Fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
CID 58316543
6-Fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
CID 58316551
5-Fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
CID 58316556
8-Fluoro-2,3,5',6'-tetrahydrospiro[chromene-4,4'-[1,3]thiazin]-2'-amine
CID 58316558
1'-(2,2,2-trifluoroethoxy)spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
CID 67383653

Frequently Asked Questions

What is the IUPAC name of 1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The IUPAC name of 1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine (CID 67437021) is 1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine is COCC1SC(N)=NC12c1ccccc1Oc1cccc(OC)c12.
What is the InChIKey of 1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The InChIKey is OAYLOFHNASBEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-21-10-15-18(20-17(19)24-15)11-6-3-4-7-12(11)23-14-9-5-8-13(22-2)16(14)18/h3-9,15H,10H2,1-2H3,(H2,19,20).
What are the key properties of 1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine has a molecular weight of 342.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 67437021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).