6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole

C9H7ClFNOS — CID 178048806

IUPAC6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole
SMILESCOc1c(F)c(Cl)cc2sc(C)nc12
InChIInChI=1S/C9H7ClFNOS/c1-4-12-8-6(14-4)3-5(10)7(11)9(8)13-2/h3H,1-2H3
InChIKeyWAROJFGBKVFZQD-UHFFFAOYSA-N
MW231.68 g/mol
LogP3.41
Rot. Bonds1

About 6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole

6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole (PubChem CID 178048806) has the molecular formula C9H7ClFNOS and a molecular weight of 231.68 g/mol. Its IUPAC name is 6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole
PubChem CID178048806
Molecular FormulaC9H7ClFNOS
Molecular Weight231.68 g/mol
Exact Mass230.99
IUPAC Name6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole
SMILESCOc1c(F)c(Cl)cc2sc(C)nc12
InChIInChI=1S/C9H7ClFNOS/c1-4-12-8-6(14-4)3-5(10)7(11)9(8)13-2/h3H,1-2H3
InChIKeyWAROJFGBKVFZQD-UHFFFAOYSA-N
XLogP3.41
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-7-fluoro-4-methoxy-2-methyl-1,3-benzothiazole;ethane
CID 178049195
(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)phosphane
CID 167500583
2-(5-chloro-2,4-difluoro-3-methoxyphenyl)propan-2-amine
CID 117343901
2-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)propan-2-amine
CID 117372512
5-chloro-4-fluoro-3-methoxybenzene-1,2-diol
CID 84664376
4-(cyclopropylmethyl)-6-methoxy-2-methyl-1,3-benzothiazole
CID 178049461
4-chloro-3-fluoro-6-(2-hydroxypropyl)-2-methoxyphenol
CID 117341360
2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole
CID 134180984
1-chloro-4-(4-chloro-2-fluoro-3-methoxyphenyl)-3-fluoro-2-methoxybenzene
CID 122700549
6-bromo-4-chloro-3-fluoro-2-methoxyphenol
CID 84708614
5-chloro-3,4-difluoro-2-methoxyphenol
CID 84665736
6-chloro-2-methyl-4-propoxy-1,3-benzothiazole;ethane
CID 178049033

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole?
The IUPAC name of 6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole (CID 178048806) is 6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole?
The canonical SMILES for 6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole is COc1c(F)c(Cl)cc2sc(C)nc12.
What is the InChIKey of 6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole?
The InChIKey is WAROJFGBKVFZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNOS/c1-4-12-8-6(14-4)3-5(10)7(11)9(8)13-2/h3H,1-2H3.
What are the key properties of 6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole?
6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole has a molecular weight of 231.68 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-4-methoxy-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 178048806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).