6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine

C14H12FN3S2 — CID 3240665

IUPAC6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3nc4c(s3)CCCC4)sc2c1
InChIInChI=1S/C14H12FN3S2/c15-8-5-6-10-12(7-8)20-14(17-10)18-13-16-9-3-1-2-4-11(9)19-13/h5-7H,1-4H2,(H,16,17,18)
InChIKeyIFYFISZNXVWBMG-UHFFFAOYSA-N
MW305.40 g/mol
LogP4.51
Rot. Bonds2

About 6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine

6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 3240665) has the molecular formula C14H12FN3S2 and a molecular weight of 305.40 g/mol. Its IUPAC name is 6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID3240665
Molecular FormulaC14H12FN3S2
Molecular Weight305.40 g/mol
Exact Mass305.05
IUPAC Name6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2nc(Nc3nc4c(s3)CCCC4)sc2c1
InChIInChI=1S/C14H12FN3S2/c15-8-5-6-10-12(7-8)20-14(17-10)18-13-16-9-3-1-2-4-11(9)19-13/h5-7H,1-4H2,(H,16,17,18)
InChIKeyIFYFISZNXVWBMG-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine (CID 3240665) is 6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine is Fc1ccc2nc(Nc3nc4c(s3)CCCC4)sc2c1.
What is the InChIKey of 6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is IFYFISZNXVWBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S2/c15-8-5-6-10-12(7-8)20-14(17-10)18-13-16-9-3-1-2-4-11(9)19-13/h5-7H,1-4H2,(H,16,17,18).
What are the key properties of 6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 305.40 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 3240665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).