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

C8H11F3N2S2 — CID 102809308

IUPAC4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCCSC(F)(F)F)sc1C
InChIInChI=1S/C8H11F3N2S2/c1-5-6(2)15-7(13-5)12-3-4-14-8(9,10)11/h3-4H2,1-2H3,(H,12,13)
InChIKeyCMOWRECWNRZRAH-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.42
Rot. Bonds4

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

4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 102809308) has the molecular formula C8H11F3N2S2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine
PubChem CID102809308
Molecular FormulaC8H11F3N2S2
Molecular Weight256.32 g/mol
Exact Mass256.03
IUPAC Name4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCCSC(F)(F)F)sc1C
InChIInChI=1S/C8H11F3N2S2/c1-5-6(2)15-7(13-5)12-3-4-14-8(9,10)11/h3-4H2,1-2H3,(H,12,13)
InChIKeyCMOWRECWNRZRAH-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-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

Related Compounds

N,4,5-trimethyl-1,3-thiazol-2-amine
CID 17763823
N-ethyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 178203
N-propan-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 178205
1-(4-Methyl-5-trifluoromethyl-thiazol-2-yl)-piperazine hydrochloride
CID 21100177
4-Methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole
CID 21100178
1-(5-Methyl-4-trifluoromethyl-thiazol-2-yl)-piperazine
CID 21100189
5-(aminomethyl)-N-pentyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 87536124
5-Methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane
CID 143474816
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-3-ethylthiourea
CID 13878932
N-Cyclohexyl-4,5-dimethyl-2-thiazolamine
CID 1218052
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 40151395
(2S)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 40151396

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine (CID 102809308) is 4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine is Cc1nc(NCCSC(F)(F)F)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is CMOWRECWNRZRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S2/c1-5-6(2)15-7(13-5)12-3-4-14-8(9,10)11/h3-4H2,1-2H3,(H,12,13).
What are the key properties of 4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 256.32 g/mol, XLogP of 3.42, 4 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-(trifluoromethylsulfanyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 102809308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).