N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide

C29H21FN2OS — CID 126062830

IUPACN-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H21FN2OS/c30-24-18-16-22(17-19-24)26-27(23-14-8-3-9-15-23)34-29(31-26)32-28(33)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19,25H,(H,31,32,33)
InChIKeyRHGNYDIJLVKKBR-UHFFFAOYSA-N
MW464.57 g/mol
LogP7.39
Rot. Bonds6

About N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide

N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide (PubChem CID 126062830) has the molecular formula C29H21FN2OS and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
PubChem CID126062830
Molecular FormulaC29H21FN2OS
Molecular Weight464.57 g/mol
Exact Mass464.14
IUPAC NameN-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H21FN2OS/c30-24-18-16-22(17-19-24)26-27(23-14-8-3-9-15-23)34-29(31-26)32-28(33)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19,25H,(H,31,32,33)
InChIKeyRHGNYDIJLVKKBR-UHFFFAOYSA-N
XLogP7.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 126057357
3-[[4-[4-(4-fluorophenyl)phenyl]-5-phenyl-1,3-thiazol-2-yl]amino]-2-methylpropanoic acid
CID 171750298
3-bromo-N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 126060473
1-(4,5-diphenyl-1,3-thiazol-2-yl)-3-(2-fluorophenyl)urea
CID 10691756
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 23875650
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 19226363
N-(4,5-diphenyl-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 43980747
(4R)-N-[5-(4-chlorophenyl)-4-phenyl-1,3-thiazol-2-yl]-4-hydroxy-4-phenylbutanamide
CID 126212541
N-(4,5-diphenyl-1,3-thiazol-2-yl)butanamide
CID 4099246
(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9094325

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide (CID 126062830) is N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide is O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
The InChIKey is RHGNYDIJLVKKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN2OS/c30-24-18-16-22(17-19-24)26-27(23-14-8-3-9-15-23)34-29(31-26)32-28(33)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19,25H,(H,31,32,33).
What are the key properties of N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide?
N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide has a molecular weight of 464.57 g/mol, XLogP of 7.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 126062830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).