2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine

C7H10F3N3OS — CID 102768491

IUPAC2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCCOCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)4-14-2-1-12-6-13-3-5(11)15-6/h3H,1-2,4,11H2,(H,12,13)
InChIKeyAQZQUZNWYYSDKC-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.72
Rot. Bonds5

About 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine

2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine (PubChem CID 102768491) has the molecular formula C7H10F3N3OS and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine
PubChem CID102768491
Molecular FormulaC7H10F3N3OS
Molecular Weight241.24 g/mol
Exact Mass241.05
IUPAC Name2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCCOCC(F)(F)F)s1
InChIInChI=1S/C7H10F3N3OS/c8-7(9,10)4-14-2-1-12-6-13-3-5(11)15-6/h3H,1-2,4,11H2,(H,12,13)
InChIKeyAQZQUZNWYYSDKC-UHFFFAOYSA-N
XLogP1.72
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.72
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-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine (CID 102768491) is 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine is Nc1cnc(NCCOCC(F)(F)F)s1.
What is the InChIKey of 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine?
The InChIKey is AQZQUZNWYYSDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS/c8-7(9,10)4-14-2-1-12-6-13-3-5(11)15-6/h3H,1-2,4,11H2,(H,12,13).
What are the key properties of 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine?
2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine has a molecular weight of 241.24 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).