6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one

C10H15N3O2S — CID 20590211

IUPAC6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one
SMILESCNC1COCCN(Cc2cscn2)C1=O
InChIInChI=1S/C10H15N3O2S/c1-11-9-5-15-3-2-13(10(9)14)4-8-6-16-7-12-8/h6-7,9,11H,2-5H2,1H3
InChIKeyQTROXOBFXRKVDO-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.09
Rot. Bonds3

About 6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one

6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one (PubChem CID 20590211) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one.

Molecular Properties

Compound Name6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one
PubChem CID20590211
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one
SMILESCNC1COCCN(Cc2cscn2)C1=O
InChIInChI=1S/C10H15N3O2S/c1-11-9-5-15-3-2-13(10(9)14)4-8-6-16-7-12-8/h6-7,9,11H,2-5H2,1H3
InChIKeyQTROXOBFXRKVDO-UHFFFAOYSA-N
XLogP0.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one?
The IUPAC name of 6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one (CID 20590211) is 6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one.
What is the SMILES notation for 6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one?
The canonical SMILES for 6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one is CNC1COCCN(Cc2cscn2)C1=O.
What is the InChIKey of 6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one?
The InChIKey is QTROXOBFXRKVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-11-9-5-15-3-2-13(10(9)14)4-8-6-16-7-12-8/h6-7,9,11H,2-5H2,1H3.
What are the key properties of 6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one?
6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one has a molecular weight of 241.32 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-4-(1,3-thiazol-4-ylmethyl)-1,4-oxazepan-5-one is sourced from PubChem (CID 20590211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).