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

C14H8FN3S2 — CID 7109947

IUPACN-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine
SMILESFc1cccc2sc(Nc3nc4ccccc4s3)nc12
InChIInChI=1S/C14H8FN3S2/c15-8-4-3-7-11-12(8)17-14(20-11)18-13-16-9-5-1-2-6-10(9)19-13/h1-7H,(H,16,17,18)
InChIKeyWFEVVKXCTRWNAZ-UHFFFAOYSA-N
MW301.37 g/mol
LogP4.79
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine (PubChem CID 7109947) has the molecular formula C14H8FN3S2 and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine
PubChem CID7109947
Molecular FormulaC14H8FN3S2
Molecular Weight301.37 g/mol
Exact Mass301.01
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine
SMILESFc1cccc2sc(Nc3nc4ccccc4s3)nc12
InChIInChI=1S/C14H8FN3S2/c15-8-4-3-7-11-12(8)17-14(20-11)18-13-16-9-5-1-2-6-10(9)19-13/h1-7H,(H,16,17,18)
InChIKeyWFEVVKXCTRWNAZ-UHFFFAOYSA-N
XLogP4.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine (CID 7109947) is N-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine is Fc1cccc2sc(Nc3nc4ccccc4s3)nc12.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is WFEVVKXCTRWNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3S2/c15-8-4-3-7-11-12(8)17-14(20-11)18-13-16-9-5-1-2-6-10(9)19-13/h1-7H,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine?
N-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 301.37 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7109947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).