N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide

C17H17F3N2O2S — CID 43077781

IUPACN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C17H17F3N2O2S/c1-10(24-9-17(18,19)20)15(23)22-16-21-14(8-25-16)13-6-5-11-3-2-4-12(11)7-13/h5-8,10H,2-4,9H2,1H3,(H,21,22,23)
InChIKeyFJXOZFITZHCALP-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.20
Rot. Bonds5

About N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 43077781) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID43077781
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC NameN-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1
InChIInChI=1S/C17H17F3N2O2S/c1-10(24-9-17(18,19)20)15(23)22-16-21-14(8-25-16)13-6-5-11-3-2-4-12(11)7-13/h5-8,10H,2-4,9H2,1H3,(H,21,22,23)
InChIKeyFJXOZFITZHCALP-UHFFFAOYSA-N
XLogP4.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 95306112
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 4142849
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077525
2-amino-2-methyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119264633
2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
CID 119269970
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 35804890
N-[1-oxo-1-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]propan-2-yl]benzamide
CID 4555376
phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 19227173
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide
CID 119687104
3-acetamido-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 8780790
N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4677452
2-(4-propylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 19227652

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 43077781) is N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is FJXOZFITZHCALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c1-10(24-9-17(18,19)20)15(23)22-16-21-14(8-25-16)13-6-5-11-3-2-4-12(11)7-13/h5-8,10H,2-4,9H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 370.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 43077781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).