3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one

C10H7ClN2O3S — CID 15593676

IUPAC3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one
SMILESCOc1ccc(Oc2nsnc(Cl)c2=O)cc1
InChIInChI=1S/C10H7ClN2O3S/c1-15-6-2-4-7(5-3-6)16-10-8(14)9(11)12-17-13-10/h2-5H,1H3
InChIKeyKQEGZHZPHATHNK-UHFFFAOYSA-N
MW270.70 g/mol
LogP2.35
Rot. Bonds3

About 3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one

3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one (PubChem CID 15593676) has the molecular formula C10H7ClN2O3S and a molecular weight of 270.70 g/mol. Its IUPAC name is 3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one.

Molecular Properties

Compound Name3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one
PubChem CID15593676
Molecular FormulaC10H7ClN2O3S
Molecular Weight270.70 g/mol
Exact Mass269.99
IUPAC Name3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one
SMILESCOc1ccc(Oc2nsnc(Cl)c2=O)cc1
InChIInChI=1S/C10H7ClN2O3S/c1-15-6-2-4-7(5-3-6)16-10-8(14)9(11)12-17-13-10/h2-5H,1H3
InChIKeyKQEGZHZPHATHNK-UHFFFAOYSA-N
XLogP2.35
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one?
The IUPAC name of 3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one (CID 15593676) is 3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one.
What is the SMILES notation for 3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one?
The canonical SMILES for 3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one is COc1ccc(Oc2nsnc(Cl)c2=O)cc1.
What is the InChIKey of 3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one?
The InChIKey is KQEGZHZPHATHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O3S/c1-15-6-2-4-7(5-3-6)16-10-8(14)9(11)12-17-13-10/h2-5H,1H3.
What are the key properties of 3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one?
3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one has a molecular weight of 270.70 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(4-methoxyphenoxy)-1,2,6-thiadiazin-4-one is sourced from PubChem (CID 15593676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).