3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C21H21FN2O2S — CID 59232609

IUPAC3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nccs2)cc1F
InChIInChI=1S/C21H21FN2O2S/c1-21(2,19(25)24-20-23-11-12-27-20)18(14-7-5-4-6-8-14)15-9-10-17(26-3)16(22)13-15/h4-13,18H,1-3H3,(H,23,24,25)
InChIKeyVPLYMRSDWBLKNP-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.09
Rot. Bonds6

About 3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 59232609) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID59232609
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nccs2)cc1F
InChIInChI=1S/C21H21FN2O2S/c1-21(2,19(25)24-20-23-11-12-27-20)18(14-7-5-4-6-8-14)15-9-10-17(26-3)16(22)13-15/h4-13,18H,1-3H3,(H,23,24,25)
InChIKeyVPLYMRSDWBLKNP-UHFFFAOYSA-N
XLogP5.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 59232609) is 3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is COc1ccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nccs2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is VPLYMRSDWBLKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-21(2,19(25)24-20-23-11-12-27-20)18(14-7-5-4-6-8-14)15-9-10-17(26-3)16(22)13-15/h4-13,18H,1-3H3,(H,23,24,25).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 59232609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).