4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine

C8H11F3N2OS2 — CID 61490891

IUPAC4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCOCC(F)(F)F
InChIInChI=1S/C8H11F3N2OS2/c1-5-6(16-7(12)13-5)15-3-2-14-4-8(9,10)11/h2-4H2,1H3,(H2,12,13)
InChIKeyLAAHEZMBTBIFEP-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.70
Rot. Bonds5

About 4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine

4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 61490891) has the molecular formula C8H11F3N2OS2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine
PubChem CID61490891
Molecular FormulaC8H11F3N2OS2
Molecular Weight272.32 g/mol
Exact Mass272.03
IUPAC Name4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCOCC(F)(F)F
InChIInChI=1S/C8H11F3N2OS2/c1-5-6(16-7(12)13-5)15-3-2-14-4-8(9,10)11/h2-4H2,1H3,(H2,12,13)
InChIKeyLAAHEZMBTBIFEP-UHFFFAOYSA-N
XLogP2.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
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 4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine (CID 61490891) is 4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine is Cc1nc(N)sc1SCCOCC(F)(F)F.
What is the InChIKey of 4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is LAAHEZMBTBIFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2OS2/c1-5-6(16-7(12)13-5)15-3-2-14-4-8(9,10)11/h2-4H2,1H3,(H2,12,13).
What are the key properties of 4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 272.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 61490891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).