5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C5H9FN2S — CID 135181450

IUPAC5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESNC1=NCC(CF)CS1
InChIInChI=1S/C5H9FN2S/c6-1-4-2-8-5(7)9-3-4/h4H,1-3H2,(H2,7,8)
InChIKeyMKQQQLJXYKAGAH-UHFFFAOYSA-N
MW148.21 g/mol
LogP0.63
Rot. Bonds1

About 5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 135181450) has the molecular formula C5H9FN2S and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID135181450
Molecular FormulaC5H9FN2S
Molecular Weight148.21 g/mol
Exact Mass148.05
IUPAC Name5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESNC1=NCC(CF)CS1
InChIInChI=1S/C5H9FN2S/c6-1-4-2-8-5(7)9-3-4/h4H,1-3H2,(H2,7,8)
InChIKeyMKQQQLJXYKAGAH-UHFFFAOYSA-N
XLogP0.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-5,6-dihydro-4H-1,3-thiazine
CID 189081
2-amino-5,6-dihydro-4H-1,3-thiazine hydrobromide
CID 200835
1,3-Thiazinan-2-imine hydrochloride
CID 17132942
trans-2-Amino-5,6-dimethyl-5,6-dihydro-4h-1,3-thiazine
CID 23248288
(4S,5S)-5-fluoro-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 118441149
1-(3-fluoropropyl)-4H-1,3-thiazol-2-amine
CID 140390743
3,3,3-trifluoropropyl N'-(3,3,3-trifluoropropyl)carbamimidothioate
CID 144053586
2-fluoroethyl N'-propylcarbamimidothioate
CID 127018377
(4R)-4-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 144464888
4-(2-fluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 144465023
5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 11217325
5,6-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine;hydrobromide
CID 17793166

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 135181450) is 5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is NC1=NCC(CF)CS1.
What is the InChIKey of 5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is MKQQQLJXYKAGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2S/c6-1-4-2-8-5(7)9-3-4/h4H,1-3H2,(H2,7,8).
What are the key properties of 5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 148.21 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 135181450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).