6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine

C11H13N3S — CID 45097601

IUPAC6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine
SMILESCC1=NN=C(N)SC1Cc1ccccc1
InChIInChI=1S/C11H13N3S/c1-8-10(15-11(12)14-13-8)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H2,12,14)
InChIKeyOMWBIQYFTKYQDS-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.04
Rot. Bonds2

About 6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine

6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine (PubChem CID 45097601) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine.

Molecular Properties

Compound Name6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine
PubChem CID45097601
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine
SMILESCC1=NN=C(N)SC1Cc1ccccc1
InChIInChI=1S/C11H13N3S/c1-8-10(15-11(12)14-13-8)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H2,12,14)
InChIKeyOMWBIQYFTKYQDS-UHFFFAOYSA-N
XLogP2.04
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine?
The IUPAC name of 6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine (CID 45097601) is 6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine.
What is the SMILES notation for 6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine?
The canonical SMILES for 6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine is CC1=NN=C(N)SC1Cc1ccccc1.
What is the InChIKey of 6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine?
The InChIKey is OMWBIQYFTKYQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-10(15-11(12)14-13-8)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H2,12,14).
What are the key properties of 6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine?
6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-methyl-6H-1,3,4-thiadiazin-2-amine is sourced from PubChem (CID 45097601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).