5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine

C8H11F3N2S — CID 106219348

IUPAC5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NC2(C(F)(F)F)CC2)S1
InChIInChI=1S/C8H11F3N2S/c1-5-4-12-6(14-5)13-7(2-3-7)8(9,10)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeySSMZLCLQGBIBRV-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.16
Rot. Bonds1

About 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine

5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106219348) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106219348
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CN=C(NC2(C(F)(F)F)CC2)S1
InChIInChI=1S/C8H11F3N2S/c1-5-4-12-6(14-5)13-7(2-3-7)8(9,10)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeySSMZLCLQGBIBRV-UHFFFAOYSA-N
XLogP2.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943246
N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219324
N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106219328
5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219330
4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106219331
4-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219332
5-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219334
4,5-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106219335
4-methyl-N-[1-(trifluoromethyl)cyclopropyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106219340
5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219341
5-(2-methylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219342
4-(2-methylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219343

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 106219348) is 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine is CC1CN=C(NC2(C(F)(F)F)CC2)S1.
What is the InChIKey of 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SSMZLCLQGBIBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-5-4-12-6(14-5)13-7(2-3-7)8(9,10)11/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 224.25 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106219348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).