N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine

C15H13FN2OS — CID 79518712

IUPACN-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccc(C)cc3F)sc2c1
InChIInChI=1S/C15H13FN2OS/c1-9-3-5-12(11(16)7-9)17-15-18-13-6-4-10(19-2)8-14(13)20-15/h3-8H,1-2H3,(H,17,18)
InChIKeyKJJKLAZQCVNVKB-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.50
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine

N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 79518712) has the molecular formula C15H13FN2OS and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID79518712
Molecular FormulaC15H13FN2OS
Molecular Weight288.35 g/mol
Exact Mass288.07
IUPAC NameN-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3ccc(C)cc3F)sc2c1
InChIInChI=1S/C15H13FN2OS/c1-9-3-5-12(11(16)7-9)17-15-18-13-6-4-10(19-2)8-14(13)20-15/h3-8H,1-2H3,(H,17,18)
InChIKeyKJJKLAZQCVNVKB-UHFFFAOYSA-N
XLogP4.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-fluoro-4-methylphenyl)-6-methoxy-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

N-(2,4-dimethylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518411
N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79765855
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
N-(4-chloro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107637483
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489
N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908750
6-N-(2,4-difluorophenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine
CID 22535221
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961
6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 86577101
N-(4-bromo-2-chlorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518416
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908946
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine (CID 79518712) is N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3ccc(C)cc3F)sc2c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is KJJKLAZQCVNVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS/c1-9-3-5-12(11(16)7-9)17-15-18-13-6-4-10(19-2)8-14(13)20-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine?
N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 288.35 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79518712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).