2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide

C10H13F3N2O2S — CID 75417152

IUPAC2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOC(C)C(=O)N(CC(F)(F)F)c1nc(C)cs1
InChIInChI=1S/C10H13F3N2O2S/c1-6-4-18-9(14-6)15(5-10(11,12)13)8(16)7(2)17-3/h4,7H,5H2,1-3H3
InChIKeyIKCCSCAFIVOONV-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.38
Rot. Bonds4

About 2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide

2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 75417152) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID75417152
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOC(C)C(=O)N(CC(F)(F)F)c1nc(C)cs1
InChIInChI=1S/C10H13F3N2O2S/c1-6-4-18-9(14-6)15(5-10(11,12)13)8(16)7(2)17-3/h4,7H,5H2,1-3H3
InChIKeyIKCCSCAFIVOONV-UHFFFAOYSA-N
XLogP2.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 75417152) is 2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide is COC(C)C(=O)N(CC(F)(F)F)c1nc(C)cs1.
What is the InChIKey of 2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is IKCCSCAFIVOONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-6-4-18-9(14-6)15(5-10(11,12)13)8(16)7(2)17-3/h4,7H,5H2,1-3H3.
What are the key properties of 2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide?
2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 75417152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).