7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

C12H13FN2OS — CID 58316543

IUPAC7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESNC1=NC2(CCOc3cc(F)ccc32)CCS1
InChIInChI=1S/C12H13FN2OS/c13-8-1-2-9-10(7-8)16-5-3-12(9)4-6-17-11(14)15-12/h1-2,7H,3-6H2,(H2,14,15)
InChIKeyDUEUAVDHEHFCDD-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.26
Rot. Bonds

About 7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine

7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (PubChem CID 58316543) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.

Molecular Properties

Compound Name7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
PubChem CID58316543
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine
SMILESNC1=NC2(CCOc3cc(F)ccc32)CCS1
InChIInChI=1S/C12H13FN2OS/c13-8-1-2-9-10(7-8)16-5-3-12(9)4-6-17-11(14)15-12/h1-2,7H,3-6H2,(H2,14,15)
InChIKeyDUEUAVDHEHFCDD-UHFFFAOYSA-N
XLogP2.26
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
(4aR,6R,8aS)-8a-(2-fluorophenyl)-6-(phenoxymethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 71268856
(4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-[2-(trifluoromethoxy)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 122362921
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-(trifluoromethoxy)phenyl]-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 59281187
(4aR,8aS)-8a-(2-methoxyphenyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 71268733
6-Fluorospiro[2,3-dihydrochromene-4,4'-imidazole]
CID 21162154
4-(3-Fluoro-4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 57626978
4-[4-(4-Fluorophenoxy)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 57627817
2-[4-(3-Fluoro-4-methoxyphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-yl]guanidine
CID 57628006
4-[4-Fluoro-3-(3-phenylpropoxy)phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 57628154

Frequently Asked Questions

What is the IUPAC name of 7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The IUPAC name of 7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine (CID 58316543) is 7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine.
What is the SMILES notation for 7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The canonical SMILES for 7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is NC1=NC2(CCOc3cc(F)ccc32)CCS1.
What is the InChIKey of 7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
The InChIKey is DUEUAVDHEHFCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c13-8-1-2-9-10(7-8)16-5-3-12(9)4-6-17-11(14)15-12/h1-2,7H,3-6H2,(H2,14,15).
What are the key properties of 7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine?
7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine has a molecular weight of 252.31 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-2'-amine is sourced from PubChem (CID 58316543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).