[(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol

C12H14BrNOS — CID 141324987

IUPAC[(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol
SMILESC[C@@]1(c2cccc(Br)c2)C[C@@H](CO)SC=N1
InChIInChI=1S/C12H14BrNOS/c1-12(6-11(7-15)16-8-14-12)9-3-2-4-10(13)5-9/h2-5,8,11,15H,6-7H2,1H3/t11-,12-/m0/s1
InChIKeySAENINNZBPNWEP-RYUDHWBXSA-N
MW300.22 g/mol
LogP3.19
Rot. Bonds2

About [(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol

[(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol (PubChem CID 141324987) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is [(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol.

Molecular Properties

Compound Name[(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol
PubChem CID141324987
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name[(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol
SMILESC[C@@]1(c2cccc(Br)c2)C[C@@H](CO)SC=N1
InChIInChI=1S/C12H14BrNOS/c1-12(6-11(7-15)16-8-14-12)9-3-2-4-10(13)5-9/h2-5,8,11,15H,6-7H2,1H3/t11-,12-/m0/s1
InChIKeySAENINNZBPNWEP-RYUDHWBXSA-N
XLogP3.19
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol?
The IUPAC name of [(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol (CID 141324987) is [(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol.
What is the SMILES notation for [(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol?
The canonical SMILES for [(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol is C[C@@]1(c2cccc(Br)c2)C[C@@H](CO)SC=N1.
What is the InChIKey of [(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol?
The InChIKey is SAENINNZBPNWEP-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-12(6-11(7-15)16-8-14-12)9-3-2-4-10(13)5-9/h2-5,8,11,15H,6-7H2,1H3/t11-,12-/m0/s1.
What are the key properties of [(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol?
[(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol has a molecular weight of 300.22 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6S)-4-(3-bromophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]methanol is sourced from PubChem (CID 141324987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).