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

C13H18N2S — CID 2384539

IUPACN-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)c1ccccc1NC1=NCCCS1
InChIInChI=1S/C13H18N2S/c1-10(2)11-6-3-4-7-12(11)15-13-14-8-5-9-16-13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,14,15)
InChIKeyACBUMAWXOCNMGY-UHFFFAOYSA-N
MW234.37 g/mol
LogP3.71
Rot. Bonds2

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

N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 2384539) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID2384539
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)c1ccccc1NC1=NCCCS1
InChIInChI=1S/C13H18N2S/c1-10(2)11-6-3-4-7-12(11)15-13-14-8-5-9-16-13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,14,15)
InChIKeyACBUMAWXOCNMGY-UHFFFAOYSA-N
XLogP3.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 2384539) is N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)c1ccccc1NC1=NCCCS1.
What is the InChIKey of N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is ACBUMAWXOCNMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-10(2)11-6-3-4-7-12(11)15-13-14-8-5-9-16-13/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 234.37 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 2384539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).