2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine

C19H20N2OS2 — CID 72550434

IUPAC2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine
SMILESNC1=NC2(CCCc3sc(-c4ccc5c(c4)CCO5)cc32)CCS1
InChIInChI=1S/C19H20N2OS2/c20-18-21-19(7-9-23-18)6-1-2-16-14(19)11-17(24-16)13-3-4-15-12(10-13)5-8-22-15/h3-4,10-11H,1-2,5-9H2,(H2,20,21)
InChIKeyVSJBRAKPAIPZLT-UHFFFAOYSA-N
MW356.52 g/mol
LogP4.33
Rot. Bonds1

About 2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine

2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine (PubChem CID 72550434) has the molecular formula C19H20N2OS2 and a molecular weight of 356.52 g/mol. Its IUPAC name is 2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine.

Molecular Properties

Compound Name2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine
PubChem CID72550434
Molecular FormulaC19H20N2OS2
Molecular Weight356.52 g/mol
Exact Mass356.10
IUPAC Name2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine
SMILESNC1=NC2(CCCc3sc(-c4ccc5c(c4)CCO5)cc32)CCS1
InChIInChI=1S/C19H20N2OS2/c20-18-21-19(7-9-23-18)6-1-2-16-14(19)11-17(24-16)13-3-4-15-12(10-13)5-8-22-15/h3-4,10-11H,1-2,5-9H2,(H2,20,21)
InChIKeyVSJBRAKPAIPZLT-UHFFFAOYSA-N
XLogP4.33
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine with MolForge

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Related Compounds

5-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-amine
CID 66199605
5-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 61025357
3-(2-aminospiro[5,6-dihydro-1,3-thiazine-4,7'-5,6-dihydro-4H-1-benzothiophene]-2'-yl)benzonitrile
CID 72550437
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
4,5-bis(2,3-dihydro-1-benzofuran-5-yl)-1,3-dihydroimidazole-2-thione
CID 139775443
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
CID 104544998
5-(3,4-dihydro-2H-chromen-6-yl)pyridin-2-amine
CID 62492220
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
2-methyl-2'-(3-methylphenyl)spiro[1,2,4-oxadiazole-5,4'-6,7-dihydro-5H-1-benzothiophene]-3-amine
CID 118033112
5-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1H-pyrazol-3-amine
CID 116827285
4-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-1,3,5-triazin-2-amine
CID 83241683
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218

Frequently Asked Questions

What is the IUPAC name of 2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine?
The IUPAC name of 2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine (CID 72550434) is 2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine.
What is the SMILES notation for 2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine?
The canonical SMILES for 2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine is NC1=NC2(CCCc3sc(-c4ccc5c(c4)CCO5)cc32)CCS1.
What is the InChIKey of 2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine?
The InChIKey is VSJBRAKPAIPZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS2/c20-18-21-19(7-9-23-18)6-1-2-16-14(19)11-17(24-16)13-3-4-15-12(10-13)5-8-22-15/h3-4,10-11H,1-2,5-9H2,(H2,20,21).
What are the key properties of 2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine?
2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine has a molecular weight of 356.52 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2,3-dihydro-1-benzofuran-5-yl)spiro[5,6-dihydro-1,3-thiazine-4,4'-6,7-dihydro-5H-1-benzothiophene]-2-amine is sourced from PubChem (CID 72550434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).