N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide

C23H14FN3OS — CID 13481987

IUPACN-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide
SMILESO=C(Nc1nc2c(s1)c(-c1ccc(F)cc1)nc1ccccc12)c1ccccc1
InChIInChI=1S/C23H14FN3OS/c24-16-12-10-14(11-13-16)19-21-20(17-8-4-5-9-18(17)25-19)26-23(29-21)27-22(28)15-6-2-1-3-7-15/h1-13H,(H,26,27,28)
InChIKeyPVOVCHXHXGMFNT-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.90
Rot. Bonds3

About N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide

N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide (PubChem CID 13481987) has the molecular formula C23H14FN3OS and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide
PubChem CID13481987
Molecular FormulaC23H14FN3OS
Molecular Weight399.45 g/mol
Exact Mass399.08
IUPAC NameN-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide
SMILESO=C(Nc1nc2c(s1)c(-c1ccc(F)cc1)nc1ccccc12)c1ccccc1
InChIInChI=1S/C23H14FN3OS/c24-16-12-10-14(11-13-16)19-21-20(17-8-4-5-9-18(17)25-19)26-23(29-21)27-22(28)15-6-2-1-3-7-15/h1-13H,(H,26,27,28)
InChIKeyPVOVCHXHXGMFNT-UHFFFAOYSA-N
XLogP5.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39795631
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)benzamide
CID 46300054
3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 126060473
N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985
N-[5-(4-cyclohexylpiperazin-1-yl)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 175236985
N-[4-[6-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-yl]phenyl]benzamide
CID 73388461
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide (CID 13481987) is N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide is O=C(Nc1nc2c(s1)c(-c1ccc(F)cc1)nc1ccccc12)c1ccccc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide?
The InChIKey is PVOVCHXHXGMFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN3OS/c24-16-12-10-14(11-13-16)19-21-20(17-8-4-5-9-18(17)25-19)26-23(29-21)27-22(28)15-6-2-1-3-7-15/h1-13H,(H,26,27,28).
What are the key properties of N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide?
N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-[1,3]thiazolo[5,4-c]quinolin-2-yl]benzamide is sourced from PubChem (CID 13481987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).