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

C18H16BrFN2O3S — CID 67382936

IUPAC7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
SMILESCOCC1SC(N)=NC12c1cc(Br)ccc1Oc1c(F)cc(OC)cc12
InChIInChI=1S/C18H16BrFN2O3S/c1-23-8-15-18(22-17(21)26-15)11-5-9(19)3-4-14(11)25-16-12(18)6-10(24-2)7-13(16)20/h3-7,15H,8H2,1-2H3,(H2,21,22)
InChIKeyNTQWUYQPAPWOIY-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.02
Rot. Bonds3

About 7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine

7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine (PubChem CID 67382936) has the molecular formula C18H16BrFN2O3S and a molecular weight of 439.31 g/mol. Its IUPAC name is 7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine.

Molecular Properties

Compound Name7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
PubChem CID67382936
Molecular FormulaC18H16BrFN2O3S
Molecular Weight439.31 g/mol
Exact Mass438.00
IUPAC Name7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
SMILESCOCC1SC(N)=NC12c1cc(Br)ccc1Oc1c(F)cc(OC)cc12
InChIInChI=1S/C18H16BrFN2O3S/c1-23-8-15-18(22-17(21)26-15)11-5-9(19)3-4-14(11)25-16-12(18)6-10(24-2)7-13(16)20/h3-7,15H,8H2,1-2H3,(H2,21,22)
InChIKeyNTQWUYQPAPWOIY-UHFFFAOYSA-N
XLogP4.02
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-7'-bromo-4'-fluoro-2'-methoxyspiro[4,5-dihydro-1,3-thiazine-6,9'-xanthene]-2-amine
CID 89461803
(5S)-7'-bromo-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine;(5S)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine
CID 162041932
(4S)-4'-fluoro-2'-(2-fluoro-2-methylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine
CID 58466216
(3S)-2'-bromo-7'-methoxyspiro[1,2-dihydropyrrole-3,9'-xanthene]-5-amine
CID 141263164
2'-bromo-4'-fluoro-7'-methoxyspiro[morpholine-5,9'-xanthene]-3-one
CID 77292419
N-[(4S)-2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl]-5-methoxypyrazine-2-carboxamide
CID 71542790
7'-(4,4-difluoropiperidin-1-yl)-4'-fluoro-2'-methoxyspiro[2,6-dihydro-1,4-oxazine-5,9'-xanthene]-3-amine
CID 67387713
2-amino-7'-bromospiro[5H-1,3-oxazole-4,9'-xanthene]-2'-ol;2'-bromo-7'-methoxyspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine;tribromoborane
CID 158686493
(6S)-7'-bromo-3'-chloro-1'-fluorospiro[4,5-dihydro-1,3-thiazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
CID 90156588
7'-bromo-3'-chloro-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-2-amine
CID 87379598
(E)-1-[(2-bromo-4-fluoro-7-methoxy-9H-xanthen-9-yl)methoxy]but-1-en-1-amine
CID 144628582
(6S)-4'-fluoro-2'-(2-fluoro-2-methylpropoxy)-7'-(2-fluoro-3-pyridinyl)spiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2-amine
CID 67382830

Frequently Asked Questions

What is the IUPAC name of 7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The IUPAC name of 7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine (CID 67382936) is 7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine.
What is the SMILES notation for 7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The canonical SMILES for 7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine is COCC1SC(N)=NC12c1cc(Br)ccc1Oc1c(F)cc(OC)cc12.
What is the InChIKey of 7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
The InChIKey is NTQWUYQPAPWOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O3S/c1-23-8-15-18(22-17(21)26-15)11-5-9(19)3-4-14(11)25-16-12(18)6-10(24-2)7-13(16)20/h3-7,15H,8H2,1-2H3,(H2,21,22).
What are the key properties of 7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine?
7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine has a molecular weight of 439.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-bromo-4'-fluoro-2'-methoxy-5-(methoxymethyl)spiro[5H-1,3-thiazole-4,9'-xanthene]-2-amine is sourced from PubChem (CID 67382936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).