3-methyl-5,6-dihydrothiazin-2-amine

C5H10N2S — CID 54290326

IUPAC3-methyl-5,6-dihydrothiazin-2-amine
SMILESCC1=CCCSN1N
InChIInChI=1S/C5H10N2S/c1-5-3-2-4-8-7(5)6/h3H,2,4,6H2,1H3
InChIKeyRXBBVTFJYGKVDD-UHFFFAOYSA-N
MW130.22 g/mol
LogP1.12
Rot. Bonds

About 3-methyl-5,6-dihydrothiazin-2-amine

3-methyl-5,6-dihydrothiazin-2-amine (PubChem CID 54290326) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 3-methyl-5,6-dihydrothiazin-2-amine.

Molecular Properties

Compound Name3-methyl-5,6-dihydrothiazin-2-amine
PubChem CID54290326
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name3-methyl-5,6-dihydrothiazin-2-amine
SMILESCC1=CCCSN1N
InChIInChI=1S/C5H10N2S/c1-5-3-2-4-8-7(5)6/h3H,2,4,6H2,1H3
InChIKeyRXBBVTFJYGKVDD-UHFFFAOYSA-N
XLogP1.12
TPSA29.26 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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-methyl-5,6-dihydrothiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydrothiazin-2-amine?
The IUPAC name of 3-methyl-5,6-dihydrothiazin-2-amine (CID 54290326) is 3-methyl-5,6-dihydrothiazin-2-amine.
What is the SMILES notation for 3-methyl-5,6-dihydrothiazin-2-amine?
The canonical SMILES for 3-methyl-5,6-dihydrothiazin-2-amine is CC1=CCCSN1N.
What is the InChIKey of 3-methyl-5,6-dihydrothiazin-2-amine?
The InChIKey is RXBBVTFJYGKVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-5-3-2-4-8-7(5)6/h3H,2,4,6H2,1H3.
What are the key properties of 3-methyl-5,6-dihydrothiazin-2-amine?
3-methyl-5,6-dihydrothiazin-2-amine has a molecular weight of 130.22 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydrothiazin-2-amine is sourced from PubChem (CID 54290326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).