5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine

C6H9F3N2S — CID 43439897

IUPAC5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCC(F)(F)F)S1
InChIInChI=1S/C6H9F3N2S/c1-4-2-10-5(12-4)11-3-6(7,8)9/h4H,2-3H2,1H3,(H,10,11)
InChIKeyRQLCNCSPLIIAQG-UHFFFAOYSA-N
MW198.21 g/mol
LogP1.63
Rot. Bonds1

About 5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43439897) has the molecular formula C6H9F3N2S and a molecular weight of 198.21 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43439897
Molecular FormulaC6H9F3N2S
Molecular Weight198.21 g/mol
Exact Mass198.04
IUPAC Name5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NCC(F)(F)F)S1
InChIInChI=1S/C6H9F3N2S/c1-4-2-10-5(12-4)11-3-6(7,8)9/h4H,2-3H2,1H3,(H,10,11)
InChIKeyRQLCNCSPLIIAQG-UHFFFAOYSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Ethyl-1,3-thiazolidin-2-imine
CID 202955
N-Ethyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 253132
methyl N,N'-bis(2,2,2-trifluoroethyl)carbamimidothioate
CID 20187301
N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 20502488
2,2,2-trifluoroethyl N-ethyl-N'-methylcarbamimidothioate
CID 134202270
N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068207
N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148974
N-(3,3,3-trifluoropropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 63227280
N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63227324
5-methyl-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63227327
5-methyl-N-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65036111
CID 71758765
CID 71758765

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43439897) is 5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NCC(F)(F)F)S1.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RQLCNCSPLIIAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2S/c1-4-2-10-5(12-4)11-3-6(7,8)9/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 198.21 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43439897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).