5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole

C9H7ClFNS — CID 130063492

IUPAC5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole
SMILESCCc1nc2cc(Cl)cc(F)c2s1
InChIInChI=1S/C9H7ClFNS/c1-2-8-12-7-4-5(10)3-6(11)9(7)13-8/h3-4H,2H2,1H3
InChIKeyRJNNYZNAJMFUIK-UHFFFAOYSA-N
MW215.68 g/mol
LogP3.65
Rot. Bonds1

About 5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole

5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole (PubChem CID 130063492) has the molecular formula C9H7ClFNS and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole
PubChem CID130063492
Molecular FormulaC9H7ClFNS
Molecular Weight215.68 g/mol
Exact Mass215.00
IUPAC Name5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole
SMILESCCc1nc2cc(Cl)cc(F)c2s1
InChIInChI=1S/C9H7ClFNS/c1-2-8-12-7-4-5(10)3-6(11)9(7)13-8/h3-4H,2H2,1H3
InChIKeyRJNNYZNAJMFUIK-UHFFFAOYSA-N
XLogP3.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole?
The IUPAC name of 5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole (CID 130063492) is 5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole.
What is the SMILES notation for 5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole?
The canonical SMILES for 5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole is CCc1nc2cc(Cl)cc(F)c2s1.
What is the InChIKey of 5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole?
The InChIKey is RJNNYZNAJMFUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNS/c1-2-8-12-7-4-5(10)3-6(11)9(7)13-8/h3-4H,2H2,1H3.
What are the key properties of 5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole?
5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole has a molecular weight of 215.68 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-7-fluoro-1,3-benzothiazole is sourced from PubChem (CID 130063492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).