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

C8H16N2S — CID 3865137

IUPACN-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)CNC1=NCCCS1
InChIInChI=1S/C8H16N2S/c1-7(2)6-10-8-9-4-3-5-11-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyMBYLAMQPEIOABW-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.72
Rot. Bonds2

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

N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 3865137) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID3865137
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC NameN-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)CNC1=NCCCS1
InChIInChI=1S/C8H16N2S/c1-7(2)6-10-8-9-4-3-5-11-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyMBYLAMQPEIOABW-UHFFFAOYSA-N
XLogP1.72
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 3865137) is N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)CNC1=NCCCS1.
What is the InChIKey of N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is MBYLAMQPEIOABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-7(2)6-10-8-9-4-3-5-11-8/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 172.30 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 3865137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).