2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide

C14H20F3N3O3S — CID 87016238

IUPAC2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)NCCCOCC(F)(F)F)cs1
InChIInChI=1S/C14H20F3N3O3S/c1-9(2)12(22)20-13-19-10(7-24-13)6-11(21)18-4-3-5-23-8-14(15,16)17/h7,9H,3-6,8H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyCBCPMUKEQRRDHT-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.37
Rot. Bonds9

About 2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 87016238) has the molecular formula C14H20F3N3O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID87016238
Molecular FormulaC14H20F3N3O3S
Molecular Weight367.39 g/mol
Exact Mass367.12
IUPAC Name2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)NCCCOCC(F)(F)F)cs1
InChIInChI=1S/C14H20F3N3O3S/c1-9(2)12(22)20-13-19-10(7-24-13)6-11(21)18-4-3-5-23-8-14(15,16)17/h7,9H,3-6,8H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyCBCPMUKEQRRDHT-UHFFFAOYSA-N
XLogP2.37
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide (CID 87016238) is 2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide is CC(C)C(=O)Nc1nc(CC(=O)NCCCOCC(F)(F)F)cs1.
What is the InChIKey of 2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is CBCPMUKEQRRDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3S/c1-9(2)12(22)20-13-19-10(7-24-13)6-11(21)18-4-3-5-23-8-14(15,16)17/h7,9H,3-6,8H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of 2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 367.39 g/mol, XLogP of 2.37, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-oxo-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 87016238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).