7-chloro-5-fluoro-1,3-benzothiazole

C7H3ClFNS — CID 175806521

IUPAC7-chloro-5-fluoro-1,3-benzothiazole
SMILESFc1cc(Cl)c2scnc2c1
InChIInChI=1S/C7H3ClFNS/c8-5-1-4(9)2-6-7(5)11-3-10-6/h1-3H
InChIKeyFXYXJJAWYWOAPT-UHFFFAOYSA-N
MW187.63 g/mol
LogP3.09
Rot. Bonds

About 7-chloro-5-fluoro-1,3-benzothiazole

7-chloro-5-fluoro-1,3-benzothiazole (PubChem CID 175806521) has the molecular formula C7H3ClFNS and a molecular weight of 187.63 g/mol. Its IUPAC name is 7-chloro-5-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name7-chloro-5-fluoro-1,3-benzothiazole
PubChem CID175806521
Molecular FormulaC7H3ClFNS
Molecular Weight187.63 g/mol
Exact Mass186.97
IUPAC Name7-chloro-5-fluoro-1,3-benzothiazole
SMILESFc1cc(Cl)c2scnc2c1
InChIInChI=1S/C7H3ClFNS/c8-5-1-4(9)2-6-7(5)11-3-10-6/h1-3H
InChIKeyFXYXJJAWYWOAPT-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-[1,3]thiazolo[4,5-c]pyridine
CID 133080898
7-chloro-5-fluoro-2-methyl-1,3-benzothiazole
CID 130063294
7-fluoro-5-methyl-1,3-benzothiazole
CID 129148981
5-bromo-6-chloro-1,3-benzothiazole
CID 162381468
7-chloro-3-ethyl-5-fluoro-1-benzothiophene
CID 130805932
7-chloro-5-fluoro-3-methyl-1-benzothiophene
CID 91881897
5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 83081916
2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 83076710
4-chloro-6-fluoro-2H-benzotriazole
CID 154729678
4,7-dichloro-1,3-benzothiazole
CID 23199467
7-chloro-6-methyl-1,3-benzothiazole
CID 67962941
7-(4-chlorophenyl)-6-ethyl-5-methyl-1,3-benzothiazole
CID 123907895

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-1,3-benzothiazole?
The IUPAC name of 7-chloro-5-fluoro-1,3-benzothiazole (CID 175806521) is 7-chloro-5-fluoro-1,3-benzothiazole.
What is the SMILES notation for 7-chloro-5-fluoro-1,3-benzothiazole?
The canonical SMILES for 7-chloro-5-fluoro-1,3-benzothiazole is Fc1cc(Cl)c2scnc2c1.
What is the InChIKey of 7-chloro-5-fluoro-1,3-benzothiazole?
The InChIKey is FXYXJJAWYWOAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNS/c8-5-1-4(9)2-6-7(5)11-3-10-6/h1-3H.
What are the key properties of 7-chloro-5-fluoro-1,3-benzothiazole?
7-chloro-5-fluoro-1,3-benzothiazole has a molecular weight of 187.63 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-fluoro-1,3-benzothiazole is sourced from PubChem (CID 175806521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).