N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine

C15H13FN2S — CID 43306953

IUPACN-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESCCc1cccc(Nc2nc3cc(F)ccc3s2)c1
InChIInChI=1S/C15H13FN2S/c1-2-10-4-3-5-12(8-10)17-15-18-13-9-11(16)6-7-14(13)19-15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyTXQAORSHMJMPEP-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.74
Rot. Bonds3

About N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine

N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 43306953) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID43306953
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC NameN-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESCCc1cccc(Nc2nc3cc(F)ccc3s2)c1
InChIInChI=1S/C15H13FN2S/c1-2-10-4-3-5-12(8-10)17-15-18-13-9-11(16)6-7-14(13)19-15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyTXQAORSHMJMPEP-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-[3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306595
3-[(5-fluoro-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 43306836
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43566520
5-fluoro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546794
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
N-(1,3-benzodioxol-5-yl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306395
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306998
N-(3-bromo-5-methoxyphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 82860896
N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 103586604

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine (CID 43306953) is N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine is CCc1cccc(Nc2nc3cc(F)ccc3s2)c1.
What is the InChIKey of N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is TXQAORSHMJMPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-2-10-4-3-5-12(8-10)17-15-18-13-9-11(16)6-7-14(13)19-15/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine?
N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 272.35 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).