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

C8H5ClFNS — CID 130063294

IUPAC7-chloro-5-fluoro-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(F)cc(Cl)c2s1
InChIInChI=1S/C8H5ClFNS/c1-4-11-7-3-5(10)2-6(9)8(7)12-4/h2-3H,1H3
InChIKeyRRWOVTXUYXYPSO-UHFFFAOYSA-N
MW201.65 g/mol
LogP3.40
Rot. Bonds

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

7-chloro-5-fluoro-2-methyl-1,3-benzothiazole (PubChem CID 130063294) has the molecular formula C8H5ClFNS and a molecular weight of 201.65 g/mol. Its IUPAC name is 7-chloro-5-fluoro-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name7-chloro-5-fluoro-2-methyl-1,3-benzothiazole
PubChem CID130063294
Molecular FormulaC8H5ClFNS
Molecular Weight201.65 g/mol
Exact Mass200.98
IUPAC Name7-chloro-5-fluoro-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(F)cc(Cl)c2s1
InChIInChI=1S/C8H5ClFNS/c1-4-11-7-3-5(10)2-6(9)8(7)12-4/h2-3H,1H3
InChIKeyRRWOVTXUYXYPSO-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

6-chloro-7-fluoro-2-methyl-1,3-benzothiazole
CID 130063292
7-chloro-5-fluoro-1,3-benzothiazole
CID 175806521
5-chloro-2-methyl-1,3-benzothiazole-7-carbaldehyde
CID 83885669
7-chloro-5-fluoro-3-iodo-2-methyl-1-benzothiophene
CID 142472643
5-N-(2-chloro-4,6-difluorophenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 83072875
1-(5-chloro-2-methyl-1,3-benzothiazol-7-yl)-N-methylmethanamine
CID 83892808
4-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-5-carboxylic acid
CID 70919695
7-chloro-5-fluoro-3-methyl-1-benzothiophene
CID 91881897
6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane
CID 178049195
6-chloro-2-methyl-1,3-benzothiazole-5-carbonitrile
CID 130063324
7-chloro-5-fluoro-2-methyl-1-benzothiophene-3-carbaldehyde
CID 135380136
2,4-dichloro-7-fluoro-5-methylquinoline
CID 170368158

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-fluoro-2-methyl-1,3-benzothiazole?
The IUPAC name of 7-chloro-5-fluoro-2-methyl-1,3-benzothiazole (CID 130063294) is 7-chloro-5-fluoro-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 7-chloro-5-fluoro-2-methyl-1,3-benzothiazole?
The canonical SMILES for 7-chloro-5-fluoro-2-methyl-1,3-benzothiazole is Cc1nc2cc(F)cc(Cl)c2s1.
What is the InChIKey of 7-chloro-5-fluoro-2-methyl-1,3-benzothiazole?
The InChIKey is RRWOVTXUYXYPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFNS/c1-4-11-7-3-5(10)2-6(9)8(7)12-4/h2-3H,1H3.
What are the key properties of 7-chloro-5-fluoro-2-methyl-1,3-benzothiazole?
7-chloro-5-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 7-chloro-5-fluoro-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 130063294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).