[(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol

C14H16FNO2S — CID 143834636

IUPAC[(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol
SMILESCC1=N[C@@]2(c3ccccc3F)COC(CO)[C@H]2CS1
InChIInChI=1S/C14H16FNO2S/c1-9-16-14(10-4-2-3-5-12(10)15)8-18-13(6-17)11(14)7-19-9/h2-5,11,13,17H,6-8H2,1H3/t11-,13?,14-/m1/s1
InChIKeyDHHNHURNXKULAC-AODWJNRKSA-N
MW281.35 g/mol
LogP2.19
Rot. Bonds2

About [(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol

[(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol (PubChem CID 143834636) has the molecular formula C14H16FNO2S and a molecular weight of 281.35 g/mol. Its IUPAC name is [(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol.

Molecular Properties

Compound Name[(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol
PubChem CID143834636
Molecular FormulaC14H16FNO2S
Molecular Weight281.35 g/mol
Exact Mass281.09
IUPAC Name[(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol
SMILESCC1=N[C@@]2(c3ccccc3F)COC(CO)[C@H]2CS1
InChIInChI=1S/C14H16FNO2S/c1-9-16-14(10-4-2-3-5-12(10)15)8-18-13(6-17)11(14)7-19-9/h2-5,11,13,17H,6-8H2,1H3/t11-,13?,14-/m1/s1
InChIKeyDHHNHURNXKULAC-AODWJNRKSA-N
XLogP2.19
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol?
The IUPAC name of [(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol (CID 143834636) is [(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol.
What is the SMILES notation for [(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol?
The canonical SMILES for [(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol is CC1=N[C@@]2(c3ccccc3F)COC(CO)[C@H]2CS1.
What is the InChIKey of [(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol?
The InChIKey is DHHNHURNXKULAC-AODWJNRKSA-N. The full InChI is InChI=1S/C14H16FNO2S/c1-9-16-14(10-4-2-3-5-12(10)15)8-18-13(6-17)11(14)7-19-9/h2-5,11,13,17H,6-8H2,1H3/t11-,13?,14-/m1/s1.
What are the key properties of [(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol?
[(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol has a molecular weight of 281.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,7aS)-7a-(2-fluorophenyl)-2-methyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-5-yl]methanol is sourced from PubChem (CID 143834636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).