5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine

C4H5F3N2S — CID 68746385

IUPAC5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NCC(C(F)(F)F)S1
InChIInChI=1S/C4H5F3N2S/c5-4(6,7)2-1-9-3(8)10-2/h2H,1H2,(H2,8,9)
InChIKeyBCXHYUFRWJVHSA-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.98
Rot. Bonds

About 5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine

5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 68746385) has the molecular formula C4H5F3N2S and a molecular weight of 170.16 g/mol. Its IUPAC name is 5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID68746385
Molecular FormulaC4H5F3N2S
Molecular Weight170.16 g/mol
Exact Mass170.01
IUPAC Name5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NCC(C(F)(F)F)S1
InChIInChI=1S/C4H5F3N2S/c5-4(6,7)2-1-9-3(8)10-2/h2H,1H2,(H2,8,9)
InChIKeyBCXHYUFRWJVHSA-UHFFFAOYSA-N
XLogP0.98
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 20502488
2,2,2-trifluoroethyl N'-methylcarbamimidothioate
CID 71755519
5-(2,2,2-Trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 89285511
2,2,2-trifluoroethyl N'-ethylcarbamimidothioate
CID 134202268
1-(3-fluoropropyl)-4H-1,3-thiazol-2-amine
CID 140390743
3,3,3-trifluoropropyl N'-(3,3,3-trifluoropropyl)carbamimidothioate
CID 144053586
5-Fluoro-4,5-dihydro-1,3-thiazol-2-amine
CID 147210442
1,2,2-trifluoroethyl N'-methylcarbamimidothioate
CID 174268970
N-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068207
2,2,2-trifluoroethyl N'-(2,2,2-trifluoroethyl)carbamimidothioate
CID 88351081
2-fluoroethyl N'-propylcarbamimidothioate
CID 127018377
N'-(4,5-dihydro-1,3-thiazol-2-yl)methanediimine
CID 162461541

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 68746385) is 5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine is NC1=NCC(C(F)(F)F)S1.
What is the InChIKey of 5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BCXHYUFRWJVHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N2S/c5-4(6,7)2-1-9-3(8)10-2/h2H,1H2,(H2,8,9).
What are the key properties of 5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 170.16 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 68746385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).