3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide

C19H19FN2OS2 — CID 89272327

IUPAC3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(C(c2cccc(F)c2)C(C)(C)C(=O)Nc2nccs2)s1
InChIInChI=1S/C19H19FN2OS2/c1-12-7-8-15(25-12)16(13-5-4-6-14(20)11-13)19(2,3)17(23)22-18-21-9-10-24-18/h4-11,16H,1-3H3,(H,21,22,23)
InChIKeyVYULWPBBZZBSCW-UHFFFAOYSA-N
MW374.51 g/mol
LogP5.45
Rot. Bonds5

About 3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 89272327) has the molecular formula C19H19FN2OS2 and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID89272327
Molecular FormulaC19H19FN2OS2
Molecular Weight374.51 g/mol
Exact Mass374.09
IUPAC Name3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(C(c2cccc(F)c2)C(C)(C)C(=O)Nc2nccs2)s1
InChIInChI=1S/C19H19FN2OS2/c1-12-7-8-15(25-12)16(13-5-4-6-14(20)11-13)19(2,3)17(23)22-18-21-9-10-24-18/h4-11,16H,1-3H3,(H,21,22,23)
InChIKeyVYULWPBBZZBSCW-UHFFFAOYSA-N
XLogP5.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59232619
2-fluoro-4-[5-[(1S)-1-(3-fluorophenyl)-2,2-dimethyl-3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]thiophen-2-yl]benzoic acid
CID 59138521
ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 143671313
3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59252882
N-ethyl-4-[5-[(1S)-1-(3-fluorophenyl)-2,2-dimethyl-3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]thiophen-2-yl]-N-methylbenzamide
CID 59138692
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
CID 89275031
CID 89275031
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-fluoro-4-[5-[(1R)-1-(3-fluorophenyl)-2,2-dimethyl-3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]thiophen-2-yl]benzoic acid;(3R)-3-[5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]thiophen-2-yl]-3-(3-fluorophenyl)-2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 162188567
2,2-dimethyl-3-phenyl-3-(1-pyridin-2-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 59252765
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
3-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2,2-dimethylpropanoic acid;ethane;methyl 3-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-2,2-dimethylpropanoate
CID 143670972

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 89272327) is 3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide is Cc1ccc(C(c2cccc(F)c2)C(C)(C)C(=O)Nc2nccs2)s1.
What is the InChIKey of 3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is VYULWPBBZZBSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS2/c1-12-7-8-15(25-12)16(13-5-4-6-14(20)11-13)19(2,3)17(23)22-18-21-9-10-24-18/h4-11,16H,1-3H3,(H,21,22,23).
What are the key properties of 3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 374.51 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 89272327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).