N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

C10H13F3N2O2S — CID 86836357

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1ncc(CNC(=O)C(C)OCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S/c1-6(17-5-10(11,12)13)9(16)15-4-8-3-14-7(2)18-8/h3,6H,4-5H2,1-2H3,(H,15,16)
InChIKeyYRYKWMQDDHUHAA-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.04
Rot. Bonds5

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 86836357) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID86836357
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCc1ncc(CNC(=O)C(C)OCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S/c1-6(17-5-10(11,12)13)9(16)15-4-8-3-14-7(2)18-8/h3,6H,4-5H2,1-2H3,(H,15,16)
InChIKeyYRYKWMQDDHUHAA-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide (CID 86836357) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is Cc1ncc(CNC(=O)C(C)OCC(F)(F)F)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is YRYKWMQDDHUHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-6(17-5-10(11,12)13)9(16)15-4-8-3-14-7(2)18-8/h3,6H,4-5H2,1-2H3,(H,15,16).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 282.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 86836357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).