6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine

C14H10ClFN2S — CID 79528338

IUPAC6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(F)c(Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C14H10ClFN2S/c1-8-2-4-10(16)12(6-8)18-14-17-11-5-3-9(15)7-13(11)19-14/h2-7H,1H3,(H,17,18)
InChIKeyAIHQHYBFPFFVHX-UHFFFAOYSA-N
MW292.77 g/mol
LogP5.14
Rot. Bonds2

About 6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine

6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 79528338) has the molecular formula C14H10ClFN2S and a molecular weight of 292.77 g/mol. Its IUPAC name is 6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
PubChem CID79528338
Molecular FormulaC14H10ClFN2S
Molecular Weight292.77 g/mol
Exact Mass292.02
IUPAC Name6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(F)c(Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C14H10ClFN2S/c1-8-2-4-10(16)12(6-8)18-14-17-11-5-3-9(15)7-13(11)19-14/h2-7H,1H3,(H,17,18)
InChIKeyAIHQHYBFPFFVHX-UHFFFAOYSA-N
XLogP5.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.77
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911
2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4-methylbenzenecarbothioamide
CID 63515168
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478
4-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 63516010
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
N-(5-bromo-2-methylphenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 53414874
N-(2-bromo-5-chlorophenyl)-6-chloro-1,3-benzothiazol-2-amine
CID 81274899
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine
CID 50879330
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
2-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazole-2,6-diamine
CID 55185596

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine (CID 79528338) is 6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine is Cc1ccc(F)c(Nc2nc3ccc(Cl)cc3s2)c1.
What is the InChIKey of 6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is AIHQHYBFPFFVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2S/c1-8-2-4-10(16)12(6-8)18-14-17-11-5-3-9(15)7-13(11)19-14/h2-7H,1H3,(H,17,18).
What are the key properties of 6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 292.77 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79528338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).