N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

C10H13F3N2O2S — CID 71994018

IUPACN-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCc1cnc(NC(=O)CCOCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S/c1-2-7-5-14-9(18-7)15-8(16)3-4-17-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,14,15,16)
InChIKeyDCEHHZNPDQEFDY-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.61
Rot. Bonds6

About N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 71994018) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID71994018
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC NameN-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCc1cnc(NC(=O)CCOCC(F)(F)F)s1
InChIInChI=1S/C10H13F3N2O2S/c1-2-7-5-14-9(18-7)15-8(16)3-4-17-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,14,15,16)
InChIKeyDCEHHZNPDQEFDY-UHFFFAOYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 71994018) is N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is CCc1cnc(NC(=O)CCOCC(F)(F)F)s1.
What is the InChIKey of N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is DCEHHZNPDQEFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-2-7-5-14-9(18-7)15-8(16)3-4-17-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,14,15,16).
What are the key properties of N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 282.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 71994018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).