4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine

C9H13F3N2OS — CID 65168667

IUPAC4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCCOCC(F)(F)F)sc1C
InChIInChI=1S/C9H13F3N2OS/c1-6-7(2)16-8(14-6)13-3-4-15-5-9(10,11)12/h3-5H2,1-2H3,(H,13,14)
InChIKeyBLPBHTPHOBUBPI-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.75
Rot. Bonds5

About 4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine (PubChem CID 65168667) has the molecular formula C9H13F3N2OS and a molecular weight of 254.28 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
PubChem CID65168667
Molecular FormulaC9H13F3N2OS
Molecular Weight254.28 g/mol
Exact Mass254.07
IUPAC Name4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCCOCC(F)(F)F)sc1C
InChIInChI=1S/C9H13F3N2OS/c1-6-7(2)16-8(14-6)13-3-4-15-5-9(10,11)12/h3-5H2,1-2H3,(H,13,14)
InChIKeyBLPBHTPHOBUBPI-UHFFFAOYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.75
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 4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine (CID 65168667) is 4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine is Cc1nc(NCCOCC(F)(F)F)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
The InChIKey is BLPBHTPHOBUBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS/c1-6-7(2)16-8(14-6)13-3-4-15-5-9(10,11)12/h3-5H2,1-2H3,(H,13,14).
What are the key properties of 4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine has a molecular weight of 254.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65168667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).