7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine

C17H11FN4S — CID 123354263

IUPAC7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(-c3cccnc3)cc(-c3ncccc3F)c2s1
InChIInChI=1S/C17H11FN4S/c18-13-4-2-6-21-15(13)12-7-11(10-3-1-5-20-9-10)8-14-16(12)23-17(19)22-14/h1-9H,(H2,19,22)
InChIKeySDELUSIGNXLGQW-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.14
Rot. Bonds2

About 7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine

7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine (PubChem CID 123354263) has the molecular formula C17H11FN4S and a molecular weight of 322.37 g/mol. Its IUPAC name is 7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine
PubChem CID123354263
Molecular FormulaC17H11FN4S
Molecular Weight322.37 g/mol
Exact Mass322.07
IUPAC Name7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine
SMILESNc1nc2cc(-c3cccnc3)cc(-c3ncccc3F)c2s1
InChIInChI=1S/C17H11FN4S/c18-13-4-2-6-21-15(13)12-7-11(10-3-1-5-20-9-10)8-14-16(12)23-17(19)22-14/h1-9H,(H2,19,22)
InChIKeySDELUSIGNXLGQW-UHFFFAOYSA-N
XLogP4.14
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-bis(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine
CID 123793411
2,3-dipyridin-3-ylpyridine;methane
CID 174971096
1-[5-(2-aminopyrimidin-5-yl)-7-pyridin-3-yl-1,3-benzothiazol-2-yl]-3-ethylurea
CID 24864399
3-(4-bromo-3,5-difluorophenyl)pyridine
CID 164533968
4-fluoro-2,6-dipyridin-3-ylaniline
CID 46316799
2,4-dipyridin-3-ylaniline
CID 46316358
2-(3,5-dipyridin-3-ylphenyl)-7-(2-pyridin-2-ylquinolin-7-yl)quinoline
CID 164780643
5-propan-2-yl-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 82106824
3-(3-fluoro-4-iodo-5-pyridin-4-ylphenyl)pyridine
CID 46316518
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride
CID 175008055
2,3-dipyridin-3-ylpyridine;hydrobromide
CID 175062851
5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821

Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine (CID 123354263) is 7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine is Nc1nc2cc(-c3cccnc3)cc(-c3ncccc3F)c2s1.
What is the InChIKey of 7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine?
The InChIKey is SDELUSIGNXLGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4S/c18-13-4-2-6-21-15(13)12-7-11(10-3-1-5-20-9-10)8-14-16(12)23-17(19)22-14/h1-9H,(H2,19,22).
What are the key properties of 7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine?
7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine has a molecular weight of 322.37 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-2-pyridinyl)-5-pyridin-3-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 123354263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).