3,4-dihydro-2H-1,3-thiazin-2-amine

C4H8N2S — CID 68539579

IUPAC3,4-dihydro-2H-1,3-thiazin-2-amine
SMILESNC1NCC=CS1
InChIInChI=1S/C4H8N2S/c5-4-6-2-1-3-7-4/h1,3-4,6H,2,5H2
InChIKeyHJXHTTXYWNVHRE-UHFFFAOYSA-N
MW116.19 g/mol
LogP0.08
Rot. Bonds

About 3,4-dihydro-2H-1,3-thiazin-2-amine

3,4-dihydro-2H-1,3-thiazin-2-amine (PubChem CID 68539579) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name3,4-dihydro-2H-1,3-thiazin-2-amine
PubChem CID68539579
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC Name3,4-dihydro-2H-1,3-thiazin-2-amine
SMILESNC1NCC=CS1
InChIInChI=1S/C4H8N2S/c5-4-6-2-1-3-7-4/h1,3-4,6H,2,5H2
InChIKeyHJXHTTXYWNVHRE-UHFFFAOYSA-N
XLogP0.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,3-thiazin-2-amine?
The IUPAC name of 3,4-dihydro-2H-1,3-thiazin-2-amine (CID 68539579) is 3,4-dihydro-2H-1,3-thiazin-2-amine.
What is the SMILES notation for 3,4-dihydro-2H-1,3-thiazin-2-amine?
The canonical SMILES for 3,4-dihydro-2H-1,3-thiazin-2-amine is NC1NCC=CS1.
What is the InChIKey of 3,4-dihydro-2H-1,3-thiazin-2-amine?
The InChIKey is HJXHTTXYWNVHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S/c5-4-6-2-1-3-7-4/h1,3-4,6H,2,5H2.
What are the key properties of 3,4-dihydro-2H-1,3-thiazin-2-amine?
3,4-dihydro-2H-1,3-thiazin-2-amine has a molecular weight of 116.19 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,3-thiazin-2-amine is sourced from PubChem (CID 68539579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).