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

C14H7F2N3S2 — CID 7109952

IUPAC4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3nc4c(F)cccc4s3)sc2c1
InChIInChI=1S/C14H7F2N3S2/c15-7-4-5-9-11(6-7)21-13(17-9)19-14-18-12-8(16)2-1-3-10(12)20-14/h1-6H,(H,17,18,19)
InChIKeyNTBSUCRASDUTRD-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.93
Rot. Bonds2

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

4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 7109952) has the molecular formula C14H7F2N3S2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID7109952
Molecular FormulaC14H7F2N3S2
Molecular Weight319.36 g/mol
Exact Mass319.00
IUPAC Name4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3nc4c(F)cccc4s3)sc2c1
InChIInChI=1S/C14H7F2N3S2/c15-7-4-5-9-11(6-7)21-13(17-9)19-14-18-12-8(16)2-1-3-10(12)20-14/h1-6H,(H,17,18,19)
InChIKeyNTBSUCRASDUTRD-UHFFFAOYSA-N
XLogP4.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-ethoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7109940
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine
CID 7109945
N-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 7513182
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552
6-fluoro-N-pyridin-3-yl-1,3-benzothiazol-2-amine
CID 79144359
N-(4-bromo-2,5-difluorophenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 107614018
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763
2,6-difluoro-N'-(6-fluoro-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953194
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
5-fluoro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546794
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine (CID 7109952) is 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine is Fc1ccc2nc(Nc3nc4c(F)cccc4s3)sc2c1.
What is the InChIKey of 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is NTBSUCRASDUTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F2N3S2/c15-7-4-5-9-11(6-7)21-13(17-9)19-14-18-12-8(16)2-1-3-10(12)20-14/h1-6H,(H,17,18,19).
What are the key properties of 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 319.36 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7109952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).