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

C8H5ClFNS — CID 130063292

IUPAC6-chloro-7-fluoro-2-methyl-1,3-benzothiazole
SMILESCc1nc2ccc(Cl)c(F)c2s1
InChIInChI=1S/C8H5ClFNS/c1-4-11-6-3-2-5(9)7(10)8(6)12-4/h2-3H,1H3
InChIKeyYUWRMKSFMWPVKH-UHFFFAOYSA-N
MW201.65 g/mol
LogP3.40
Rot. Bonds

About 6-chloro-7-fluoro-2-methyl-1,3-benzothiazole

6-chloro-7-fluoro-2-methyl-1,3-benzothiazole (PubChem CID 130063292) has the molecular formula C8H5ClFNS and a molecular weight of 201.65 g/mol. Its IUPAC name is 6-chloro-7-fluoro-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-7-fluoro-2-methyl-1,3-benzothiazole
PubChem CID130063292
Molecular FormulaC8H5ClFNS
Molecular Weight201.65 g/mol
Exact Mass200.98
IUPAC Name6-chloro-7-fluoro-2-methyl-1,3-benzothiazole
SMILESCc1nc2ccc(Cl)c(F)c2s1
InChIInChI=1S/C8H5ClFNS/c1-4-11-6-3-2-5(9)7(10)8(6)12-4/h2-3H,1H3
InChIKeyYUWRMKSFMWPVKH-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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Related Compounds

7-chloro-5-fluoro-2-methyl-1,3-benzothiazole
CID 130063294
7-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole
CID 163542916
7-chloro-6-methoxy-2-methyl-1,3-benzothiazole
CID 134106377
7-chloro-2-methyl-6-propan-2-yl-1,3-benzothiazole
CID 118344265
7-methyl-[1,3]thiazolo[4,5-g][1,2,3]benzothiadiazole
CID 45077751
6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane
CID 178049195
6-amino-2-methyl-1,3-benzothiazole-7-thiol
CID 45077563
2-methyl-7H-benzo[g][1,3]benzothiazol-7-ide;yttrium
CID 147870543
6-bromo-2-methyl-1,3-benzothiazole-7-sulfonyl chloride
CID 75481572
11-chloro-2-methyl-7,8,9,10-tetrahydro-[1,3]thiazolo[5,4-a]acridine
CID 139206208
5-chloro-2-methyl-1,3-benzothiazole-7-carbaldehyde
CID 83885669
7-bromo-6-tert-butyl-2-methyl-1,3-benzothiazole
CID 134416694

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-2-methyl-1,3-benzothiazole?
The IUPAC name of 6-chloro-7-fluoro-2-methyl-1,3-benzothiazole (CID 130063292) is 6-chloro-7-fluoro-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-7-fluoro-2-methyl-1,3-benzothiazole?
The canonical SMILES for 6-chloro-7-fluoro-2-methyl-1,3-benzothiazole is Cc1nc2ccc(Cl)c(F)c2s1.
What is the InChIKey of 6-chloro-7-fluoro-2-methyl-1,3-benzothiazole?
The InChIKey is YUWRMKSFMWPVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFNS/c1-4-11-6-3-2-5(9)7(10)8(6)12-4/h2-3H,1H3.
What are the key properties of 6-chloro-7-fluoro-2-methyl-1,3-benzothiazole?
6-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 6-chloro-7-fluoro-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 130063292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).