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

C11H15F3N2S — CID 106784166

IUPAC1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNC(CCc1cnc(C(F)(F)F)s1)C1CC1
InChIInChI=1S/C11H15F3N2S/c1-15-9(7-2-3-7)5-4-8-6-16-10(17-8)11(12,13)14/h6-7,9,15H,2-5H2,1H3
InChIKeyLVCVEWVUKDSJPY-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.09
Rot. Bonds5

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

1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106784166) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106784166
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCNC(CCc1cnc(C(F)(F)F)s1)C1CC1
InChIInChI=1S/C11H15F3N2S/c1-15-9(7-2-3-7)5-4-8-6-16-10(17-8)11(12,13)14/h6-7,9,15H,2-5H2,1H3
InChIKeyLVCVEWVUKDSJPY-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

US9670136, 6 N1-((trans)-2-(thiazol-5-yl)cyclopropyl)cyclohexane-1,4-diamine
CID 90395370
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(7-Azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 90902428
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136
4-[2-(Difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 146435255
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
5-[(4-Fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
CID 163385852
5-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethyl)-1,3-thiazole
CID 166826846
5-Octan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 167185113
5-(1,1-Difluoro-2-methylpropyl)-2-methyl-1,3-thiazole
CID 170413439

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106784166) is 1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is CNC(CCc1cnc(C(F)(F)F)s1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is LVCVEWVUKDSJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-15-9(7-2-3-7)5-4-8-6-16-10(17-8)11(12,13)14/h6-7,9,15H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 264.32 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106784166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).