2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide

C14H12F3N3OS — CID 175203007

IUPAC2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(N1Cc2ccccc2C1)C(F)(F)F
InChIInChI=1S/C14H12F3N3OS/c15-14(16,17)11(12(21)19-13-18-5-6-22-13)20-7-9-3-1-2-4-10(9)8-20/h1-6,11H,7-8H2,(H,18,19,21)
InChIKeyQTUAYMVIMWENIA-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.03
Rot. Bonds3

About 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide

2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 175203007) has the molecular formula C14H12F3N3OS and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide
PubChem CID175203007
Molecular FormulaC14H12F3N3OS
Molecular Weight327.33 g/mol
Exact Mass327.07
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(Nc1nccs1)C(N1Cc2ccccc2C1)C(F)(F)F
InChIInChI=1S/C14H12F3N3OS/c15-14(16,17)11(12(21)19-13-18-5-6-22-13)20-7-9-3-1-2-4-10(9)8-20/h1-6,11H,7-8H2,(H,18,19,21)
InChIKeyQTUAYMVIMWENIA-UHFFFAOYSA-N
XLogP3.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoic acid;trifluoromethylbenzene
CID 88598154
(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 51607467
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 47144998
2-(5-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 136577902
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1,3-thiazol-2-yl)urea
CID 51080085
4-[3-oxo-2-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]-1H-isoindol-5-yl]benzoic acid
CID 135351539
1-(1,3-thiazol-2-ylcarbamoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61187874
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide (CID 175203007) is 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide is O=C(Nc1nccs1)C(N1Cc2ccccc2C1)C(F)(F)F.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is QTUAYMVIMWENIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3OS/c15-14(16,17)11(12(21)19-13-18-5-6-22-13)20-7-9-3-1-2-4-10(9)8-20/h1-6,11H,7-8H2,(H,18,19,21).
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide?
2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 327.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-3,3,3-trifluoro-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 175203007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).