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

C10H18N2OS — CID 82508975

IUPAC4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one
SMILESCCC1=C(C)N(C(C)CN)C(=O)CS1
InChIInChI=1S/C10H18N2OS/c1-4-9-8(3)12(7(2)5-11)10(13)6-14-9/h7H,4-6,11H2,1-3H3
InChIKeyCCGQOWCAOSHIEY-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.55
Rot. Bonds3

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

4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one (PubChem CID 82508975) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one
PubChem CID82508975
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one
SMILESCCC1=C(C)N(C(C)CN)C(=O)CS1
InChIInChI=1S/C10H18N2OS/c1-4-9-8(3)12(7(2)5-11)10(13)6-14-9/h7H,4-6,11H2,1-3H3
InChIKeyCCGQOWCAOSHIEY-UHFFFAOYSA-N
XLogP1.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.55
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)-6-ethyl-5-methyl-1,4-thiazin-3-one?
The IUPAC name of 4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one (CID 82508975) is 4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one?
The canonical SMILES for 4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one is CCC1=C(C)N(C(C)CN)C(=O)CS1.
What is the InChIKey of 4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one?
The InChIKey is CCGQOWCAOSHIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-4-9-8(3)12(7(2)5-11)10(13)6-14-9/h7H,4-6,11H2,1-3H3.
What are the key properties of 4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one?
4-(1-aminopropan-2-yl)-6-ethyl-5-methyl-1,4-thiazin-3-one has a molecular weight of 214.33 g/mol, XLogP of 1.55, 3 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)-6-ethyl-5-methyl-1,4-thiazin-3-one is sourced from PubChem (CID 82508975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).