N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C26H19FN4O2S — CID 39795631

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1sc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H19FN4O2S/c1-15-23(17-7-11-19(27)12-8-17)29-26(34-15)30-24(32)18-9-13-20(14-10-18)31-16(2)28-22-6-4-3-5-21(22)25(31)33/h3-14H,1-2H3,(H,29,30,32)
InChIKeyPTKAVAATQZOCCJ-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.52
Rot. Bonds4

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 39795631) has the molecular formula C26H19FN4O2S and a molecular weight of 470.53 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID39795631
Molecular FormulaC26H19FN4O2S
Molecular Weight470.53 g/mol
Exact Mass470.12
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCc1sc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C26H19FN4O2S/c1-15-23(17-7-11-19(27)12-8-17)29-26(34-15)30-24(32)18-9-13-20(14-10-18)31-16(2)28-22-6-4-3-5-21(22)25(31)33/h3-14H,1-2H3,(H,29,30,32)
InChIKeyPTKAVAATQZOCCJ-UHFFFAOYSA-N
XLogP5.52
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32624561
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-[5-[3-(4-acetylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]-4-methylbenzamide
CID 87663735
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776818
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
4-(2-methyl-4-oxoquinazolin-3-yl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 39776766
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 46813436
N-[5-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 46933135
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 60520102

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 39795631) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is Cc1sc(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is PTKAVAATQZOCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O2S/c1-15-23(17-7-11-19(27)12-8-17)29-26(34-15)30-24(32)18-9-13-20(14-10-18)31-16(2)28-22-6-4-3-5-21(22)25(31)33/h3-14H,1-2H3,(H,29,30,32).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 470.53 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 39795631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).