N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine

C16H12FN3O2S2 — CID 7513182

IUPACN-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2nc(Nc3nc4c(F)cccc4s3)sc2cc1OC
InChIInChI=1S/C16H12FN3O2S2/c1-21-10-6-9-13(7-11(10)22-2)24-15(18-9)20-16-19-14-8(17)4-3-5-12(14)23-16/h3-7H,1-2H3,(H,18,19,20)
InChIKeyXECUTHLYELDCAT-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.81
Rot. Bonds4

About N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine

N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine (PubChem CID 7513182) has the molecular formula C16H12FN3O2S2 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
PubChem CID7513182
Molecular FormulaC16H12FN3O2S2
Molecular Weight361.42 g/mol
Exact Mass361.04
IUPAC NameN-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc2nc(Nc3nc4c(F)cccc4s3)sc2cc1OC
InChIInChI=1S/C16H12FN3O2S2/c1-21-10-6-9-13(7-11(10)22-2)24-15(18-9)20-16-19-14-8(17)4-3-5-12(14)23-16/h3-7H,1-2H3,(H,18,19,20)
InChIKeyXECUTHLYELDCAT-UHFFFAOYSA-N
XLogP4.81
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-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

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine (CID 7513182) is N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine is COc1cc2nc(Nc3nc4c(F)cccc4s3)sc2cc1OC.
What is the InChIKey of N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine?
The InChIKey is XECUTHLYELDCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O2S2/c1-21-10-6-9-13(7-11(10)22-2)24-15(18-9)20-16-19-14-8(17)4-3-5-12(14)23-16/h3-7H,1-2H3,(H,18,19,20).
What are the key properties of N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine?
N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine has a molecular weight of 361.42 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7513182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).