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

C10H13F3N2O2S — CID 78865887

IUPAC3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)OCCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H13F3N2O2S/c1-6(2)17-4-3-8(16)15-9-14-7(5-18-9)10(11,12)13/h5-6H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyPERNVNJTCKIUGU-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.92
Rot. Bonds5

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

3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 78865887) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID78865887
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)OCCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C10H13F3N2O2S/c1-6(2)17-4-3-8(16)15-9-14-7(5-18-9)10(11,12)13/h5-6H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyPERNVNJTCKIUGU-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 45816419
2,2-dimethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 59634285
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
Methyl 2-[2-[3-(2,2,2-trifluoroethoxy)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 43622985
N-(4-methyl-1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45802599
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 45883360
N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]tetrahydro-3-furancarboxamide
CID 47444041
N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 53582249

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 78865887) is 3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is CC(C)OCCC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is PERNVNJTCKIUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-6(2)17-4-3-8(16)15-9-14-7(5-18-9)10(11,12)13/h5-6H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 282.29 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 78865887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).