3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C11H15F3N2O2S — CID 78873294

IUPAC3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)COCCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2O2S/c1-7(2)5-18-4-3-9(17)16-10-15-8(6-19-10)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyHAVCZKJYWBGAOW-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.16
Rot. Bonds6

About 3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 78873294) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID78873294
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)COCCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H15F3N2O2S/c1-7(2)5-18-4-3-9(17)16-10-15-8(6-19-10)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyHAVCZKJYWBGAOW-UHFFFAOYSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Acetamide, N-(4-(trifluoromethyl)-2-thiazolyl)-
CID 1229692
3-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
CID 45884392
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 45887541
(1R)-2,2-difluoro-N-(4-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 164641547
4-Isopropyl-2-trifluoroacetylaminothiazole
CID 23115829
2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 45816419
2-methyl-2-propan-2-ylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 58287594
2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 59634285
2-methyl-2-propylsulfonyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 59703976
2-cyclopentylsulfanyl-2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 89774197
N-[4-(difluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 155193876
2,2,3,3,4,4,4-heptafluoro-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 4616225

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 78873294) is 3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CC(C)COCCC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is HAVCZKJYWBGAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-7(2)5-18-4-3-9(17)16-10-15-8(6-19-10)11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 296.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 78873294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).