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

C6H9F3N2S2 — CID 106431812

IUPACN-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)SCCNC1=NCCS1
InChIInChI=1S/C6H9F3N2S2/c7-6(8,9)13-4-2-11-5-10-1-3-12-5/h1-4H2,(H,10,11)
InChIKeyDZRNMFUDBCXUTO-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.93
Rot. Bonds3

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

N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106431812) has the molecular formula C6H9F3N2S2 and a molecular weight of 230.28 g/mol. Its IUPAC name is N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106431812
Molecular FormulaC6H9F3N2S2
Molecular Weight230.28 g/mol
Exact Mass230.02
IUPAC NameN-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFC(F)(F)SCCNC1=NCCS1
InChIInChI=1S/C6H9F3N2S2/c7-6(8,9)13-4-2-11-5-10-1-3-12-5/h1-4H2,(H,10,11)
InChIKeyDZRNMFUDBCXUTO-UHFFFAOYSA-N
XLogP1.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.93
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 N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 106431812) is N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is FC(F)(F)SCCNC1=NCCS1.
What is the InChIKey of N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DZRNMFUDBCXUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2S2/c7-6(8,9)13-4-2-11-5-10-1-3-12-5/h1-4H2,(H,10,11).
What are the key properties of N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 230.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106431812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).