5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C11H18N4S — CID 103008516

IUPAC5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCc2ccnn2C)SC1
InChIInChI=1S/C11H18N4S/c1-9-7-13-11(16-8-9)12-5-3-10-4-6-14-15(10)2/h4,6,9H,3,5,7-8H2,1-2H3,(H,12,13)
InChIKeyVIXUAJRIFVVOSZ-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.29
Rot. Bonds3

About 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine

5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 103008516) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID103008516
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCCc2ccnn2C)SC1
InChIInChI=1S/C11H18N4S/c1-9-7-13-11(16-8-9)12-5-3-10-4-6-14-15(10)2/h4,6,9H,3,5,7-8H2,1-2H3,(H,12,13)
InChIKeyVIXUAJRIFVVOSZ-UHFFFAOYSA-N
XLogP1.29
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 103008516) is 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCCc2ccnn2C)SC1.
What is the InChIKey of 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is VIXUAJRIFVVOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-9-7-13-11(16-8-9)12-5-3-10-4-6-14-15(10)2/h4,6,9H,3,5,7-8H2,1-2H3,(H,12,13).
What are the key properties of 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 238.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 103008516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).