7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one

C10H7ClN2OS — CID 71518297

IUPAC7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one
SMILESO=C1c2cc(Cl)ccc2SC2=NCCN12
InChIInChI=1S/C10H7ClN2OS/c11-6-1-2-8-7(5-6)9(14)13-4-3-12-10(13)15-8/h1-2,5H,3-4H2
InChIKeyCOQIZPIAOXMGHX-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.26
Rot. Bonds

About 7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one

7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one (PubChem CID 71518297) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is 7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one.

Molecular Properties

Compound Name7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one
PubChem CID71518297
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC Name7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one
SMILESO=C1c2cc(Cl)ccc2SC2=NCCN12
InChIInChI=1S/C10H7ClN2OS/c11-6-1-2-8-7(5-6)9(14)13-4-3-12-10(13)15-8/h1-2,5H,3-4H2
InChIKeyCOQIZPIAOXMGHX-UHFFFAOYSA-N
XLogP2.26
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one?
The IUPAC name of 7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one (CID 71518297) is 7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one.
What is the SMILES notation for 7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one?
The canonical SMILES for 7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one is O=C1c2cc(Cl)ccc2SC2=NCCN12.
What is the InChIKey of 7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one?
The InChIKey is COQIZPIAOXMGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c11-6-1-2-8-7(5-6)9(14)13-4-3-12-10(13)15-8/h1-2,5H,3-4H2.
What are the key properties of 7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one?
7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one has a molecular weight of 238.70 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one is sourced from PubChem (CID 71518297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).