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

C4H9ClN2S — CID 17132942

IUPAC5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride
SMILESCl.NC1=NCCCS1
InChIInChI=1S/C4H8N2S.ClH/c5-4-6-2-1-3-7-4;/h1-3H2,(H2,5,6);1H
InChIKeyXSVRZUUQQSNMCN-UHFFFAOYSA-N
MW152.65 g/mol
LogP0.86
Rot. Bonds

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

5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride (PubChem CID 17132942) has the molecular formula C4H9ClN2S and a molecular weight of 152.65 g/mol. Its IUPAC name is 5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride.

Molecular Properties

Compound Name5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride
PubChem CID17132942
Molecular FormulaC4H9ClN2S
Molecular Weight152.65 g/mol
Exact Mass152.02
IUPAC Name5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride
SMILESCl.NC1=NCCCS1
InChIInChI=1S/C4H8N2S.ClH/c5-4-6-2-1-3-7-4;/h1-3H2,(H2,5,6);1H
InChIKeyXSVRZUUQQSNMCN-UHFFFAOYSA-N
XLogP0.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.65
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride?
The IUPAC name of 5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride (CID 17132942) is 5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride.
What is the SMILES notation for 5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride?
The canonical SMILES for 5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride is Cl.NC1=NCCCS1.
What is the InChIKey of 5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride?
The InChIKey is XSVRZUUQQSNMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2S.ClH/c5-4-6-2-1-3-7-4;/h1-3H2,(H2,5,6);1H.
What are the key properties of 5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride?
5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride has a molecular weight of 152.65 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-1,3-thiazin-2-amine;hydrochloride is sourced from PubChem (CID 17132942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).