N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine

C12H17F3N2S — CID 106784527

IUPACN-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H17F3N2S/c1-7(5-16-9-3-4-9)8(2)10-6-17-11(18-10)12(13,14)15/h6-9,16H,3-5H2,1-2H3
InChIKeyXFKDLOOGCXASLX-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.65
Rot. Bonds5

About N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine

N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine (PubChem CID 106784527) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine
PubChem CID106784527
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H17F3N2S/c1-7(5-16-9-3-4-9)8(2)10-6-17-11(18-10)12(13,14)15/h6-9,16H,3-5H2,1-2H3
InChIKeyXFKDLOOGCXASLX-UHFFFAOYSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.65
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
N-[(1S,2S)-2-(1,3-thiazol-5-yl)cyclopropyl]piperidin-4-amine
CID 89514841
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
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
[Difluoro-(5-pentan-3-yl-1,3-thiazol-2-yl)methyl]phosphane
CID 166735814
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

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine (CID 106784527) is N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine is CC(CNC1CC1)C(C)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine?
The InChIKey is XFKDLOOGCXASLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-7(5-16-9-3-4-9)8(2)10-6-17-11(18-10)12(13,14)15/h6-9,16H,3-5H2,1-2H3.
What are the key properties of N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine?
N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine has a molecular weight of 278.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butyl]cyclopropanamine is sourced from PubChem (CID 106784527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).