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

C8H5ClFNS — CID 130063291

IUPAC5-chloro-7-fluoro-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(Cl)cc(F)c2s1
InChIInChI=1S/C8H5ClFNS/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3
InChIKeyAZUIZLMFCKEGJB-UHFFFAOYSA-N
MW201.65 g/mol
LogP3.40
Rot. Bonds

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

5-chloro-7-fluoro-2-methyl-1,3-benzothiazole (PubChem CID 130063291) has the molecular formula C8H5ClFNS and a molecular weight of 201.65 g/mol. Its IUPAC name is 5-chloro-7-fluoro-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-chloro-7-fluoro-2-methyl-1,3-benzothiazole
PubChem CID130063291
Molecular FormulaC8H5ClFNS
Molecular Weight201.65 g/mol
Exact Mass200.98
IUPAC Name5-chloro-7-fluoro-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(Cl)cc(F)c2s1
InChIInChI=1S/C8H5ClFNS/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3
InChIKeyAZUIZLMFCKEGJB-UHFFFAOYSA-N
XLogP3.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-2-methyl-1,3-benzothiazole?
The IUPAC name of 5-chloro-7-fluoro-2-methyl-1,3-benzothiazole (CID 130063291) is 5-chloro-7-fluoro-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 5-chloro-7-fluoro-2-methyl-1,3-benzothiazole?
The canonical SMILES for 5-chloro-7-fluoro-2-methyl-1,3-benzothiazole is Cc1nc2cc(Cl)cc(F)c2s1.
What is the InChIKey of 5-chloro-7-fluoro-2-methyl-1,3-benzothiazole?
The InChIKey is AZUIZLMFCKEGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFNS/c1-4-11-7-3-5(9)2-6(10)8(7)12-4/h2-3H,1H3.
What are the key properties of 5-chloro-7-fluoro-2-methyl-1,3-benzothiazole?
5-chloro-7-fluoro-2-methyl-1,3-benzothiazole has a molecular weight of 201.65 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 130063291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).