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

C17H10FN3O2S — CID 18891483

IUPACN-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
SMILESO=C(Nc1cnc2sc3cc(F)ccc3n2c1=O)c1ccccc1
InChIInChI=1S/C17H10FN3O2S/c18-11-6-7-13-14(8-11)24-17-19-9-12(16(23)21(13)17)20-15(22)10-4-2-1-3-5-10/h1-9H,(H,20,22)
InChIKeyQXLOABKDNNVFPE-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.30
Rot. Bonds2

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

N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide (PubChem CID 18891483) has the molecular formula C17H10FN3O2S and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
PubChem CID18891483
Molecular FormulaC17H10FN3O2S
Molecular Weight339.35 g/mol
Exact Mass339.05
IUPAC NameN-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
SMILESO=C(Nc1cnc2sc3cc(F)ccc3n2c1=O)c1ccccc1
InChIInChI=1S/C17H10FN3O2S/c18-11-6-7-13-14(8-11)24-17-19-9-12(16(23)21(13)17)20-15(22)10-4-2-1-3-5-10/h1-9H,(H,20,22)
InChIKeyQXLOABKDNNVFPE-UHFFFAOYSA-N
XLogP3.30
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

12H-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 230754
N-(3-pentyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CID 155569209
N-(3-pentyl-1,3-benzothiazol-2-ylidene)-4-(trifluoromethyl)benzamide
CID 155553908
1-[4-(4-fluorophenyl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl]ethanone
CID 122190919
4-fluoro-N-(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
CID 2380799
2-Benzamido-4-cyano-1-oxo-1H,5H-pyrido(1,2-a)benzimidazole
CID 124860
(Z)-4-fluoro-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)benzamide
CID 741411
(E)-N-(3-ethyl-6-fluorobenzo[d]thiazol-2(3H)-ylidene)-2-fluorobenzamide
CID 2104918
4-cyano-N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)benzamide
CID 2151069
(Z)-4-(2,5-dioxopyrrolidin-1-yl)-N-(3-ethyl-4,6-difluorobenzo[d]thiazol-2(3H)-ylidene)benzamide
CID 2151081
(Z)-2-(1,3-dioxoisoindolin-2-yl)-N-(3-ethyl-4-fluorobenzo[d]thiazol-2(3H)-ylidene)acetamide
CID 2151096
(E)-3-fluoro-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)benzamide
CID 2318922

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide?
The IUPAC name of N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide (CID 18891483) is N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide.
What is the SMILES notation for N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide?
The canonical SMILES for N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide is O=C(Nc1cnc2sc3cc(F)ccc3n2c1=O)c1ccccc1.
What is the InChIKey of N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide?
The InChIKey is QXLOABKDNNVFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O2S/c18-11-6-7-13-14(8-11)24-17-19-9-12(16(23)21(13)17)20-15(22)10-4-2-1-3-5-10/h1-9H,(H,20,22).
What are the key properties of N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide?
N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide has a molecular weight of 339.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoro-4-oxopyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide is sourced from PubChem (CID 18891483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).