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

C15H9FN4S2 — CID 7086341

IUPAC4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESFc1cccc2sc(Nc3nc(-c4ccccn4)cs3)nc12
InChIInChI=1S/C15H9FN4S2/c16-9-4-3-6-12-13(9)19-15(22-12)20-14-18-11(8-21-14)10-5-1-2-7-17-10/h1-8H,(H,18,19,20)
InChIKeyXTTBSNIQZFVWQX-UHFFFAOYSA-N
MW328.40 g/mol
LogP4.70
Rot. Bonds3

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

4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 7086341) has the molecular formula C15H9FN4S2 and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID7086341
Molecular FormulaC15H9FN4S2
Molecular Weight328.40 g/mol
Exact Mass328.03
IUPAC Name4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESFc1cccc2sc(Nc3nc(-c4ccccn4)cs3)nc12
InChIInChI=1S/C15H9FN4S2/c16-9-4-3-6-12-13(9)19-15(22-12)20-14-18-11(8-21-14)10-5-1-2-7-17-10/h1-8H,(H,18,19,20)
InChIKeyXTTBSNIQZFVWQX-UHFFFAOYSA-N
XLogP4.70
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (CID 7086341) is 4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is Fc1cccc2sc(Nc3nc(-c4ccccn4)cs3)nc12.
What is the InChIKey of 4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is XTTBSNIQZFVWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4S2/c16-9-4-3-6-12-13(9)19-15(22-12)20-14-18-11(8-21-14)10-5-1-2-7-17-10/h1-8H,(H,18,19,20).
What are the key properties of 4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 328.40 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7086341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).