6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine

C14H7ClF4N2S — CID 53414955

IUPAC6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
SMILESFc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1C(F)(F)F
InChIInChI=1S/C14H7ClF4N2S/c15-7-1-4-11-12(5-7)22-13(21-11)20-8-2-3-10(16)9(6-8)14(17,18)19/h1-6H,(H,20,21)
InChIKeySSDPQKVGICCLNR-UHFFFAOYSA-N
MW346.74 g/mol
LogP5.85
Rot. Bonds2

About 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine

6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine (PubChem CID 53414955) has the molecular formula C14H7ClF4N2S and a molecular weight of 346.74 g/mol. Its IUPAC name is 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
PubChem CID53414955
Molecular FormulaC14H7ClF4N2S
Molecular Weight346.74 g/mol
Exact Mass346.00
IUPAC Name6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
SMILESFc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1C(F)(F)F
InChIInChI=1S/C14H7ClF4N2S/c15-7-1-4-11-12(5-7)22-13(21-11)20-8-2-3-10(16)9(6-8)14(17,18)19/h1-6H,(H,20,21)
InChIKeySSDPQKVGICCLNR-UHFFFAOYSA-N
XLogP5.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.74
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 79528250
6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine
CID 79525686
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine
CID 16814104
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
6-chloro-N-(3,6-dichloropyridazin-4-yl)-1,3-benzothiazol-2-amine
CID 166929373
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 4099366
2-N-(3-bromo-4-fluorophenyl)-1,3-benzothiazole-2,6-diamine
CID 104775625

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine (CID 53414955) is 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine is Fc1ccc(Nc2nc3ccc(Cl)cc3s2)cc1C(F)(F)F.
What is the InChIKey of 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?
The InChIKey is SSDPQKVGICCLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClF4N2S/c15-7-1-4-11-12(5-7)22-13(21-11)20-8-2-3-10(16)9(6-8)14(17,18)19/h1-6H,(H,20,21).
What are the key properties of 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine has a molecular weight of 346.74 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 53414955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).