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

C14H8ClF3N2S — CID 43306686

IUPAC7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
SMILESFC(F)(F)c1ccc(Nc2nc3cccc(Cl)c3s2)cc1
InChIInChI=1S/C14H8ClF3N2S/c15-10-2-1-3-11-12(10)21-13(20-11)19-9-6-4-8(5-7-9)14(16,17)18/h1-7H,(H,19,20)
InChIKeySUSBPOPEDSOMIF-UHFFFAOYSA-N
MW328.75 g/mol
LogP5.71
Rot. Bonds2

About 7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine

7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine (PubChem CID 43306686) has the molecular formula C14H8ClF3N2S and a molecular weight of 328.75 g/mol. Its IUPAC name is 7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
PubChem CID43306686
Molecular FormulaC14H8ClF3N2S
Molecular Weight328.75 g/mol
Exact Mass328.00
IUPAC Name7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
SMILESFC(F)(F)c1ccc(Nc2nc3cccc(Cl)c3s2)cc1
InChIInChI=1S/C14H8ClF3N2S/c15-10-2-1-3-11-12(10)21-13(20-11)19-9-6-4-8(5-7-9)14(16,17)18/h1-7H,(H,19,20)
InChIKeySUSBPOPEDSOMIF-UHFFFAOYSA-N
XLogP5.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.75
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306199
7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 43306672
7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 107622332
7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine
CID 107645443
2-N-(2,6-dichlorophenyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 24882956
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
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-(2-iodophenyl)-1,3-benzothiazol-2-amine
CID 43305001
7-chloro-N-(1-ethylpyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 43543935
5-bromo-2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 10481464
N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine
CID 107637503

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine (CID 43306686) is 7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine is FC(F)(F)c1ccc(Nc2nc3cccc(Cl)c3s2)cc1.
What is the InChIKey of 7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?
The InChIKey is SUSBPOPEDSOMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2S/c15-10-2-1-3-11-12(10)21-13(20-11)19-9-6-4-8(5-7-9)14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine?
7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine has a molecular weight of 328.75 g/mol, XLogP of 5.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).