3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine

C5H10N2S — CID 45078881

IUPAC3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1CSCC(N)=N1
InChIInChI=1S/C5H10N2S/c1-4-2-8-3-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyKFXPSILHYBPXAH-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.48
Rot. Bonds

About 3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine

3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine (PubChem CID 45078881) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine
PubChem CID45078881
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1CSCC(N)=N1
InChIInChI=1S/C5H10N2S/c1-4-2-8-3-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7)
InChIKeyKFXPSILHYBPXAH-UHFFFAOYSA-N
XLogP0.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine?
The IUPAC name of 3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine (CID 45078881) is 3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine.
What is the SMILES notation for 3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine?
The canonical SMILES for 3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine is CC1CSCC(N)=N1.
What is the InChIKey of 3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine?
The InChIKey is KFXPSILHYBPXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-4-2-8-3-5(6)7-4/h4H,2-3H2,1H3,(H2,6,7).
What are the key properties of 3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine?
3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine has a molecular weight of 130.22 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,6-dihydro-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 45078881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).