7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine

C13H5ClF4N2S — CID 107645443

IUPAC7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine
SMILESFc1cc(F)c(F)c(Nc2nc3cccc(Cl)c3s2)c1F
InChIInChI=1S/C13H5ClF4N2S/c14-5-2-1-3-8-12(5)21-13(19-8)20-11-9(17)6(15)4-7(16)10(11)18/h1-4H,(H,19,20)
InChIKeyLOYQLENUNFSGQU-UHFFFAOYSA-N
MW332.71 g/mol
LogP5.25
Rot. Bonds2

About 7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine

7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 107645443) has the molecular formula C13H5ClF4N2S and a molecular weight of 332.71 g/mol. Its IUPAC name is 7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine
PubChem CID107645443
Molecular FormulaC13H5ClF4N2S
Molecular Weight332.71 g/mol
Exact Mass331.98
IUPAC Name7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine
SMILESFc1cc(F)c(F)c(Nc2nc3cccc(Cl)c3s2)c1F
InChIInChI=1S/C13H5ClF4N2S/c14-5-2-1-3-8-12(5)21-13(19-8)20-11-9(17)6(15)4-7(16)10(11)18/h1-4H,(H,19,20)
InChIKeyLOYQLENUNFSGQU-UHFFFAOYSA-N
XLogP5.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.71
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306199
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine
CID 107637503
7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 43306507
7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306599
7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306686
7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine
CID 43305001
7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 43306672
3-chloro-4-[(7-chloro-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 107809136
7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 107622332
N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 28832810
7-chloro-1,3-benzothiazole-2-thiolate
CID 86306807

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine (CID 107645443) is 7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine is Fc1cc(F)c(F)c(Nc2nc3cccc(Cl)c3s2)c1F.
What is the InChIKey of 7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is LOYQLENUNFSGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClF4N2S/c14-5-2-1-3-8-12(5)21-13(19-8)20-11-9(17)6(15)4-7(16)10(11)18/h1-4H,(H,19,20).
What are the key properties of 7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine?
7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine has a molecular weight of 332.71 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 107645443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).