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

C9H13F3N2OS2 — CID 54962028

IUPAC4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCCOCC(F)(F)F
InChIInChI=1S/C9H13F3N2OS2/c1-6-7(17-8(13)14-6)16-4-2-3-15-5-9(10,11)12/h2-5H2,1H3,(H2,13,14)
InChIKeyGFDIXNFBSNPCKW-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.09
Rot. Bonds6

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

4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 54962028) has the molecular formula C9H13F3N2OS2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine
PubChem CID54962028
Molecular FormulaC9H13F3N2OS2
Molecular Weight286.34 g/mol
Exact Mass286.04
IUPAC Name4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCCOCC(F)(F)F
InChIInChI=1S/C9H13F3N2OS2/c1-6-7(17-8(13)14-6)16-4-2-3-15-5-9(10,11)12/h2-5H2,1H3,(H2,13,14)
InChIKeyGFDIXNFBSNPCKW-UHFFFAOYSA-N
XLogP3.09
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine (CID 54962028) is 4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine is Cc1nc(N)sc1SCCCOCC(F)(F)F.
What is the InChIKey of 4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is GFDIXNFBSNPCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OS2/c1-6-7(17-8(13)14-6)16-4-2-3-15-5-9(10,11)12/h2-5H2,1H3,(H2,13,14).
What are the key properties of 4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine?
4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 286.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(2,2,2-trifluoroethoxy)propylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 54962028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).