5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C11H15N3S — CID 65035935

IUPAC5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCc2ccncc2)SC1
InChIInChI=1S/C11H15N3S/c1-9-6-13-11(15-8-9)14-7-10-2-4-12-5-3-10/h2-5,9H,6-8H2,1H3,(H,13,14)
InChIKeyXTJAZIGZVGHVAI-UHFFFAOYSA-N
MW221.33 g/mol
LogP1.91
Rot. Bonds2

About 5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 65035935) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID65035935
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCc2ccncc2)SC1
InChIInChI=1S/C11H15N3S/c1-9-6-13-11(15-8-9)14-7-10-2-4-12-5-3-10/h2-5,9H,6-8H2,1H3,(H,13,14)
InChIKeyXTJAZIGZVGHVAI-UHFFFAOYSA-N
XLogP1.91
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 65035935) is 5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCc2ccncc2)SC1.
What is the InChIKey of 5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is XTJAZIGZVGHVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-9-6-13-11(15-8-9)14-7-10-2-4-12-5-3-10/h2-5,9H,6-8H2,1H3,(H,13,14).
What are the key properties of 5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 221.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 65035935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).