4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine

C6H7F3N2S2 — CID 24703334

IUPAC4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCC(F)(F)F
InChIInChI=1S/C6H7F3N2S2/c1-3-4(13-5(10)11-3)12-2-6(7,8)9/h2H2,1H3,(H2,10,11)
InChIKeyTYMIFNSPWMYSOS-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.69
Rot. Bonds2

About 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine

4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 24703334) has the molecular formula C6H7F3N2S2 and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine
PubChem CID24703334
Molecular FormulaC6H7F3N2S2
Molecular Weight228.26 g/mol
Exact Mass228.00
IUPAC Name4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCC(F)(F)F
InChIInChI=1S/C6H7F3N2S2/c1-3-4(13-5(10)11-3)12-2-6(7,8)9/h2H2,1H3,(H2,10,11)
InChIKeyTYMIFNSPWMYSOS-UHFFFAOYSA-N
XLogP2.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine (CID 24703334) is 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1SCC(F)(F)F.
What is the InChIKey of 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is TYMIFNSPWMYSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S2/c1-3-4(13-5(10)11-3)12-2-6(7,8)9/h2H2,1H3,(H2,10,11).
What are the key properties of 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine?
4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 228.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 24703334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).