N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine

C14H9Cl2FN2S — CID 83079004

IUPACN-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(Nc3c(Cl)cc(F)cc3Cl)nc2c1
InChIInChI=1S/C14H9Cl2FN2S/c1-7-2-3-12-11(4-7)18-14(20-12)19-13-9(15)5-8(17)6-10(13)16/h2-6H,1H3,(H,18,19)
InChIKeyOLJGULXQQMAKIG-UHFFFAOYSA-N
MW327.21 g/mol
LogP5.79
Rot. Bonds2

About N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine

N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine (PubChem CID 83079004) has the molecular formula C14H9Cl2FN2S and a molecular weight of 327.21 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
PubChem CID83079004
Molecular FormulaC14H9Cl2FN2S
Molecular Weight327.21 g/mol
Exact Mass325.98
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(Nc3c(Cl)cc(F)cc3Cl)nc2c1
InChIInChI=1S/C14H9Cl2FN2S/c1-7-2-3-12-11(4-7)18-14(20-12)19-13-9(15)5-8(17)6-10(13)16/h2-6H,1H3,(H,18,19)
InChIKeyOLJGULXQQMAKIG-UHFFFAOYSA-N
XLogP5.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.21
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 107368344
N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 43307042
N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 43213686
5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine
CID 43306651
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306998
5-chloro-N-(2,6-dichloro-3-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546234
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine (CID 83079004) is N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine is Cc1ccc2sc(Nc3c(Cl)cc(F)cc3Cl)nc2c1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine?
The InChIKey is OLJGULXQQMAKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN2S/c1-7-2-3-12-11(4-7)18-14(20-12)19-13-9(15)5-8(17)6-10(13)16/h2-6H,1H3,(H,18,19).
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine?
N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine has a molecular weight of 327.21 g/mol, XLogP of 5.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 83079004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).