5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole

C9H6ClFN2S — CID 145044084

IUPAC5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
SMILESFc1ccc2c(c1Cl)SC1=NCCN12
InChIInChI=1S/C9H6ClFN2S/c10-7-5(11)1-2-6-8(7)14-9-12-3-4-13(6)9/h1-2H,3-4H2
InChIKeySIGZFNLKGBPWDU-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.76
Rot. Bonds

About 5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole

5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole (PubChem CID 145044084) has the molecular formula C9H6ClFN2S and a molecular weight of 228.68 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
PubChem CID145044084
Molecular FormulaC9H6ClFN2S
Molecular Weight228.68 g/mol
Exact Mass227.99
IUPAC Name5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole
SMILESFc1ccc2c(c1Cl)SC1=NCCN12
InChIInChI=1S/C9H6ClFN2S/c10-7-5(11)1-2-6-8(7)14-9-12-3-4-13(6)9/h1-2H,3-4H2
InChIKeySIGZFNLKGBPWDU-UHFFFAOYSA-N
XLogP2.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole (CID 145044084) is 5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole is Fc1ccc2c(c1Cl)SC1=NCCN12.
What is the InChIKey of 5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
The InChIKey is SIGZFNLKGBPWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2S/c10-7-5(11)1-2-6-8(7)14-9-12-3-4-13(6)9/h1-2H,3-4H2.
What are the key properties of 5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole?
5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole has a molecular weight of 228.68 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1,2-dihydroimidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 145044084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).