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

C14H20FN3OS — CID 89097517

IUPAC2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol
SMILESCC(C)(O)C1C[C@@](C)(c2cc(N)ccc2F)N=C(N)S1
InChIInChI=1S/C14H20FN3OS/c1-13(2,19)11-7-14(3,18-12(17)20-11)9-6-8(16)4-5-10(9)15/h4-6,11,19H,7,16H2,1-3H3,(H2,17,18)/t11?,14-/m0/s1
InChIKeySYZJUQPFSIASDD-IAXJKZSUSA-N
MW297.40 g/mol
LogP2.21
Rot. Bonds2

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

2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol (PubChem CID 89097517) has the molecular formula C14H20FN3OS and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol
PubChem CID89097517
Molecular FormulaC14H20FN3OS
Molecular Weight297.40 g/mol
Exact Mass297.13
IUPAC Name2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol
SMILESCC(C)(O)C1C[C@@](C)(c2cc(N)ccc2F)N=C(N)S1
InChIInChI=1S/C14H20FN3OS/c1-13(2,19)11-7-14(3,18-12(17)20-11)9-6-8(16)4-5-10(9)15/h4-6,11,19H,7,16H2,1-3H3,(H2,17,18)/t11?,14-/m0/s1
InChIKeySYZJUQPFSIASDD-IAXJKZSUSA-N
XLogP2.21
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.21
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 2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol?
The IUPAC name of 2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol (CID 89097517) is 2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol.
What is the SMILES notation for 2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol?
The canonical SMILES for 2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol is CC(C)(O)C1C[C@@](C)(c2cc(N)ccc2F)N=C(N)S1.
What is the InChIKey of 2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol?
The InChIKey is SYZJUQPFSIASDD-IAXJKZSUSA-N. The full InChI is InChI=1S/C14H20FN3OS/c1-13(2,19)11-7-14(3,18-12(17)20-11)9-6-8(16)4-5-10(9)15/h4-6,11,19H,7,16H2,1-3H3,(H2,17,18)/t11?,14-/m0/s1.
What are the key properties of 2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol?
2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol has a molecular weight of 297.40 g/mol, XLogP of 2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-amino-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-6-yl]propan-2-ol is sourced from PubChem (CID 89097517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).