N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide

C24H19FN2OS — CID 3914238

IUPACN-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
SMILESCc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H19FN2OS/c1-15-6-10-17(11-7-15)21-22(18-12-8-16(2)9-13-18)29-24(26-21)27-23(28)19-4-3-5-20(25)14-19/h3-14H,1-2H3,(H,26,27,28)
InChIKeyRLGYCSJMQHHSND-UHFFFAOYSA-N
MW402.49 g/mol
LogP6.49
Rot. Bonds4

About N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide

N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide (PubChem CID 3914238) has the molecular formula C24H19FN2OS and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
PubChem CID3914238
Molecular FormulaC24H19FN2OS
Molecular Weight402.49 g/mol
Exact Mass402.12
IUPAC NameN-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
SMILESCc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C24H19FN2OS/c1-15-6-10-17(11-7-15)21-22(18-12-8-16(2)9-13-18)29-24(26-21)27-23(28)19-4-3-5-20(25)14-19/h3-14H,1-2H3,(H,26,27,28)
InChIKeyRLGYCSJMQHHSND-UHFFFAOYSA-N
XLogP6.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 126060473
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 126058063
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
3-chloro-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide
CID 22911911
3-bromo-N-[4-(4-fluorophenyl)-5-(4-sulfamoylphenyl)-1,3-thiazol-2-yl]benzamide
CID 22912318
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
2-[(3-fluorobenzoyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970334

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide?
The IUPAC name of N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide (CID 3914238) is N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide?
The canonical SMILES for N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide is Cc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2-c2ccc(C)cc2)cc1.
What is the InChIKey of N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide?
The InChIKey is RLGYCSJMQHHSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2OS/c1-15-6-10-17(11-7-15)21-22(18-12-8-16(2)9-13-18)29-24(26-21)27-23(28)19-4-3-5-20(25)14-19/h3-14H,1-2H3,(H,26,27,28).
What are the key properties of N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide?
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide has a molecular weight of 402.49 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide is sourced from PubChem (CID 3914238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).