[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol

C12H14FN3OS — CID 89097537

IUPAC[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol
SMILESC[C@@]1(c2cc(N)ccc2F)C=C(CO)SC(N)=N1
InChIInChI=1S/C12H14FN3OS/c1-12(5-8(6-17)18-11(15)16-12)9-4-7(14)2-3-10(9)13/h2-5,17H,6,14H2,1H3,(H2,15,16)/t12-/m0/s1
InChIKeyLIGIEKFAXYHWEE-LBPRGKRZSA-N
MW267.33 g/mol
LogP1.56
Rot. Bonds2

About [(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol

[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol (PubChem CID 89097537) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is [(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol.

Molecular Properties

Compound Name[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol
PubChem CID89097537
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC Name[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol
SMILESC[C@@]1(c2cc(N)ccc2F)C=C(CO)SC(N)=N1
InChIInChI=1S/C12H14FN3OS/c1-12(5-8(6-17)18-11(15)16-12)9-4-7(14)2-3-10(9)13/h2-5,17H,6,14H2,1H3,(H2,15,16)/t12-/m0/s1
InChIKeyLIGIEKFAXYHWEE-LBPRGKRZSA-N
XLogP1.56
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol?
The IUPAC name of [(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol (CID 89097537) is [(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol.
What is the SMILES notation for [(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol?
The canonical SMILES for [(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol is C[C@@]1(c2cc(N)ccc2F)C=C(CO)SC(N)=N1.
What is the InChIKey of [(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol?
The InChIKey is LIGIEKFAXYHWEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14FN3OS/c1-12(5-8(6-17)18-11(15)16-12)9-4-7(14)2-3-10(9)13/h2-5,17H,6,14H2,1H3,(H2,15,16)/t12-/m0/s1.
What are the key properties of [(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol?
[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol has a molecular weight of 267.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-1,3-thiazin-6-yl]methanol is sourced from PubChem (CID 89097537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).