N-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C8H16N2OS — CID 102699424

IUPACN-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOC(C)CNC1=NCCCS1
InChIInChI=1S/C8H16N2OS/c1-7(11-2)6-10-8-9-4-3-5-12-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyNBPWCXVEWDLQDQ-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.10
Rot. Bonds3

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

N-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 102699424) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is N-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID102699424
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC NameN-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOC(C)CNC1=NCCCS1
InChIInChI=1S/C8H16N2OS/c1-7(11-2)6-10-8-9-4-3-5-12-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyNBPWCXVEWDLQDQ-UHFFFAOYSA-N
XLogP1.10
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 102699424) is N-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is COC(C)CNC1=NCCCS1.
What is the InChIKey of N-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is NBPWCXVEWDLQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c1-7(11-2)6-10-8-9-4-3-5-12-8/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of N-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 188.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 102699424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).