N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C13H16F4N2O2S — CID 91781350

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C13H16F4N2O2S/c14-12(15)13(16,17)7-21-6-10(20)18-5-4-11-19-8-2-1-3-9(8)22-11/h12H,1-7H2,(H,18,20)
InChIKeyFWBJOAFHNVQCIZ-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.21
Rot. Bonds8

About N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 91781350) has the molecular formula C13H16F4N2O2S and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID91781350
Molecular FormulaC13H16F4N2O2S
Molecular Weight340.34 g/mol
Exact Mass340.09
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESO=C(COCC(F)(F)C(F)F)NCCc1nc2c(s1)CCC2
InChIInChI=1S/C13H16F4N2O2S/c14-12(15)13(16,17)7-21-6-10(20)18-5-4-11-19-8-2-1-3-9(8)22-11/h12H,1-7H2,(H,18,20)
InChIKeyFWBJOAFHNVQCIZ-UHFFFAOYSA-N
XLogP2.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 91781350) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is O=C(COCC(F)(F)C(F)F)NCCc1nc2c(s1)CCC2.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is FWBJOAFHNVQCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O2S/c14-12(15)13(16,17)7-21-6-10(20)18-5-4-11-19-8-2-1-3-9(8)22-11/h12H,1-7H2,(H,18,20).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 340.34 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 91781350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).