5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine

C14H9F3N2S — CID 43306651

IUPAC5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(Nc3ccc(F)c(F)c3F)nc2c1
InChIInChI=1S/C14H9F3N2S/c1-7-2-5-11-10(6-7)19-14(20-11)18-9-4-3-8(15)12(16)13(9)17/h2-6H,1H3,(H,18,19)
InChIKeyWGOCBHKZQAKLEC-UHFFFAOYSA-N
MW294.30 g/mol
LogP4.77
Rot. Bonds2

About 5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine

5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 43306651) has the molecular formula C14H9F3N2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine
PubChem CID43306651
Molecular FormulaC14H9F3N2S
Molecular Weight294.30 g/mol
Exact Mass294.04
IUPAC Name5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(Nc3ccc(F)c(F)c3F)nc2c1
InChIInChI=1S/C14H9F3N2S/c1-7-2-5-11-10(6-7)19-14(20-11)18-9-4-3-8(15)12(16)13(9)17/h2-6H,1H3,(H,18,19)
InChIKeyWGOCBHKZQAKLEC-UHFFFAOYSA-N
XLogP4.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 43307042
N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 107368344
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 83079004
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 43306818
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 43213686
N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 103586604
5-bromo-N-(4-bromo-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306662
5-chloro-N-(5-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43307023
5-bromo-N-(2,5-difluoro-4-methylphenyl)-1,3-benzothiazol-2-amine
CID 103586612

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine (CID 43306651) is 5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine is Cc1ccc2sc(Nc3ccc(F)c(F)c3F)nc2c1.
What is the InChIKey of 5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is WGOCBHKZQAKLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2S/c1-7-2-5-11-10(6-7)19-14(20-11)18-9-4-3-8(15)12(16)13(9)17/h2-6H,1H3,(H,18,19).
What are the key properties of 5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine?
5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine has a molecular weight of 294.30 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).