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

C28H24FN3OS — CID 59252882

IUPAC3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(ccn2-c2ccc(F)cc2)c1
InChIInChI=1S/C28H24FN3OS/c1-28(2,26(33)31-27-30-15-17-34-27)25(19-6-4-3-5-7-19)21-8-13-24-20(18-21)14-16-32(24)23-11-9-22(29)10-12-23/h3-18,25H,1-2H3,(H,30,31,33)
InChIKeyWWHHGNVVYQIVIM-UHFFFAOYSA-N
MW469.59 g/mol
LogP7.02
Rot. Bonds6

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

3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 59252882) has the molecular formula C28H24FN3OS and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID59252882
Molecular FormulaC28H24FN3OS
Molecular Weight469.59 g/mol
Exact Mass469.16
IUPAC Name3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(ccn2-c2ccc(F)cc2)c1
InChIInChI=1S/C28H24FN3OS/c1-28(2,26(33)31-27-30-15-17-34-27)25(19-6-4-3-5-7-19)21-8-13-24-20(18-21)14-16-32(24)23-11-9-22(29)10-12-23/h3-18,25H,1-2H3,(H,30,31,33)
InChIKeyWWHHGNVVYQIVIM-UHFFFAOYSA-N
XLogP7.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
3-(4-fluorophenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59232619
3-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789150
2,2-dimethyl-3-phenyl-3-(1-pyridin-2-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 59252765
ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 143671313
CID 89275031
CID 89275031
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2,5-trimethyl-N-(1,3-thiazol-2-yl)hex-5-enamide
CID 88883640
3-[6-(4-methoxyphenyl)-3-pyridinyl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59138553
3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 89272327
N-ethyl-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanamide
CID 59252893
3-[1-(4-fluorophenyl)indazol-5-yl]-2,3-diphenyl-N-(1,3-thiazol-2-yl)propanamide
CID 88883656
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 71102418

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 59252882) is 3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nccs1)C(c1ccccc1)c1ccc2c(ccn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is WWHHGNVVYQIVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3OS/c1-28(2,26(33)31-27-30-15-17-34-27)25(19-6-4-3-5-7-19)21-8-13-24-20(18-21)14-16-32(24)23-11-9-22(29)10-12-23/h3-18,25H,1-2H3,(H,30,31,33).
What are the key properties of 3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 469.59 g/mol, XLogP of 7.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59252882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).