N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide

C17H11FN2O2S — CID 4533660

IUPACN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccc(F)c1
InChIInChI=1S/C17H11FN2O2S/c18-11-5-3-4-10(8-11)16(21)20-17-19-15-12-6-1-2-7-13(12)22-9-14(15)23-17/h1-8H,9H2,(H,19,20,21)
InChIKeyKIAPHBJUIPEXQV-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.09
Rot. Bonds2

About N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide (PubChem CID 4533660) has the molecular formula C17H11FN2O2S and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide
PubChem CID4533660
Molecular FormulaC17H11FN2O2S
Molecular Weight326.35 g/mol
Exact Mass326.05
IUPAC NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide
SMILESO=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccc(F)c1
InChIInChI=1S/C17H11FN2O2S/c18-11-5-3-4-10(8-11)16(21)20-17-19-15-12-6-1-2-7-13(12)22-9-14(15)23-17/h1-8H,9H2,(H,19,20,21)
InChIKeyKIAPHBJUIPEXQV-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4557200
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 16822805
3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3290409
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-phenylbenzamide
CID 4583151
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 4844976
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
CID 4115235
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 45284124
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide
CID 4190684
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849395
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4050137
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565109
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479

Frequently Asked Questions

What is the IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide (CID 4533660) is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide is O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cccc(F)c1.
What is the InChIKey of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide?
The InChIKey is KIAPHBJUIPEXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O2S/c18-11-5-3-4-10(8-11)16(21)20-17-19-15-12-6-1-2-7-13(12)22-9-14(15)23-17/h1-8H,9H2,(H,19,20,21).
What are the key properties of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide?
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide has a molecular weight of 326.35 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 4533660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).