4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

C17H9F2N3O2S — CID 18891484

IUPAC4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
SMILESO=C(Nc1cnc2sc3cc(F)ccc3n2c1=O)c1ccc(F)cc1
InChIInChI=1S/C17H9F2N3O2S/c18-10-3-1-9(2-4-10)15(23)21-12-8-20-17-22(16(12)24)13-6-5-11(19)7-14(13)25-17/h1-8H,(H,21,23)
InChIKeyRJZJRTUYEQLLSA-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.44
Rot. Bonds2

About 4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide (PubChem CID 18891484) has the molecular formula C17H9F2N3O2S and a molecular weight of 357.34 g/mol. Its IUPAC name is 4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
PubChem CID18891484
Molecular FormulaC17H9F2N3O2S
Molecular Weight357.34 g/mol
Exact Mass357.04
IUPAC Name4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
SMILESO=C(Nc1cnc2sc3cc(F)ccc3n2c1=O)c1ccc(F)cc1
InChIInChI=1S/C17H9F2N3O2S/c18-10-3-1-9(2-4-10)15(23)21-12-8-20-17-22(16(12)24)13-6-5-11(19)7-14(13)25-17/h1-8H,(H,21,23)
InChIKeyRJZJRTUYEQLLSA-UHFFFAOYSA-N
XLogP3.44
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2104918
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CID 2151081
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CID 2151096
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CID 2318922
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CID 4112962
CID 4112962

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide (CID 18891484) is 4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide is O=C(Nc1cnc2sc3cc(F)ccc3n2c1=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide?
The InChIKey is RJZJRTUYEQLLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2N3O2S/c18-10-3-1-9(2-4-10)15(23)21-12-8-20-17-22(16(12)24)13-6-5-11(19)7-14(13)25-17/h1-8H,(H,21,23).
What are the key properties of 4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide?
4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide has a molecular weight of 357.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide is sourced from PubChem (CID 18891484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).