4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one

C9H16N2OS — CID 82506166

IUPAC4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one
SMILESCC1=C(C)N(C(C)CN)C(=O)CS1
InChIInChI=1S/C9H16N2OS/c1-6(4-10)11-7(2)8(3)13-5-9(11)12/h6H,4-5,10H2,1-3H3
InChIKeyWAZWFQVSKLBWLK-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.16
Rot. Bonds2

About 4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one

4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one (PubChem CID 82506166) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one
PubChem CID82506166
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one
SMILESCC1=C(C)N(C(C)CN)C(=O)CS1
InChIInChI=1S/C9H16N2OS/c1-6(4-10)11-7(2)8(3)13-5-9(11)12/h6H,4-5,10H2,1-3H3
InChIKeyWAZWFQVSKLBWLK-UHFFFAOYSA-N
XLogP1.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one?
The IUPAC name of 4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one (CID 82506166) is 4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one?
The canonical SMILES for 4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one is CC1=C(C)N(C(C)CN)C(=O)CS1.
What is the InChIKey of 4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one?
The InChIKey is WAZWFQVSKLBWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(4-10)11-7(2)8(3)13-5-9(11)12/h6H,4-5,10H2,1-3H3.
What are the key properties of 4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one?
4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one has a molecular weight of 200.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-5,6-dimethyl-1,4-thiazin-3-one is sourced from PubChem (CID 82506166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).