(4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

C5H9FN2S — CID 118441149

IUPAC(4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC[C@@H]1N=C(N)SC[C@H]1F
InChIInChI=1S/C5H9FN2S/c1-3-4(6)2-9-5(7)8-3/h3-4H,2H2,1H3,(H2,7,8)/t3-,4+/m0/s1
InChIKeyFUEQCAUKHGUEDQ-IUYQGCFVSA-N
MW148.21 g/mol
LogP0.77
Rot. Bonds

About (4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine

(4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 118441149) has the molecular formula C5H9FN2S and a molecular weight of 148.21 g/mol. Its IUPAC name is (4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name(4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID118441149
Molecular FormulaC5H9FN2S
Molecular Weight148.21 g/mol
Exact Mass148.05
IUPAC Name(4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESC[C@@H]1N=C(N)SC[C@H]1F
InChIInChI=1S/C5H9FN2S/c1-3-4(6)2-9-5(7)8-3/h3-4H,2H2,1H3,(H2,7,8)/t3-,4+/m0/s1
InChIKeyFUEQCAUKHGUEDQ-IUYQGCFVSA-N
XLogP0.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5,6-dihydro-6-methyl-4H-1,3-thiazine
CID 1534
Tocris-0871
CID 6603722
2-Amino-5,6-dihydro-6-methyl-4H-1,3-thiazine hydrochloride
CID 2733501
2-Amino-5,6-dihydro-4H-1,3-thiazine
CID 189081
(4r,5r)-5-Ethyl-2-imino-4-methyl-1,3-thiazolidine
CID 9795163
2-Amino-4-ethyl-2-thiazoline
CID 15468264
2-(2-Aminopropyl)-1-methyl-2-thiopseudourea
CID 6451601
(4S,5R,6R)-5-fluoro-4,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 118441148
5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 135181450
1-(3-fluoropropyl)-4H-1,3-thiazol-2-amine
CID 140390743
Thiazole, 4,5-dihydro-4-methyl-2-amino-
CID 568239
(4S,5S)-4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 40531190

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of (4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 118441149) is (4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for (4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for (4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is C[C@@H]1N=C(N)SC[C@H]1F.
What is the InChIKey of (4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is FUEQCAUKHGUEDQ-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H9FN2S/c1-3-4(6)2-9-5(7)8-3/h3-4H,2H2,1H3,(H2,7,8)/t3-,4+/m0/s1.
What are the key properties of (4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine?
(4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 148.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 118441149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).