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

C10H15F3N2S — CID 106219354

IUPAC4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(NC2(C(F)(F)F)CC2)=N1
InChIInChI=1S/C10H15F3N2S/c1-6(2)7-5-16-8(14-7)15-9(3-4-9)10(11,12)13/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyCOOWLLDPBLIRPG-UHFFFAOYSA-N
MW252.30 g/mol
LogP2.80
Rot. Bonds2

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

4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106219354) has the molecular formula C10H15F3N2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106219354
Molecular FormulaC10H15F3N2S
Molecular Weight252.30 g/mol
Exact Mass252.09
IUPAC Name4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CSC(NC2(C(F)(F)F)CC2)=N1
InChIInChI=1S/C10H15F3N2S/c1-6(2)7-5-16-8(14-7)15-9(3-4-9)10(11,12)13/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyCOOWLLDPBLIRPG-UHFFFAOYSA-N
XLogP2.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943223
5-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943224
4,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943226
5-cyclopropyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943239
4-methyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943243
4-propan-2-yl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943249
5-methyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105943251
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

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 106219354) is 4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C1CSC(NC2(C(F)(F)F)CC2)=N1.
What is the InChIKey of 4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is COOWLLDPBLIRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2S/c1-6(2)7-5-16-8(14-7)15-9(3-4-9)10(11,12)13/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 252.30 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106219354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).