N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine

C15H15F3N2S — CID 115976693

IUPACN-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine
SMILESFC(F)(F)c1nc(-c2ccccc2)c(CCNC2CC2)s1
InChIInChI=1S/C15H15F3N2S/c16-15(17,18)14-20-13(10-4-2-1-3-5-10)12(21-14)8-9-19-11-6-7-11/h1-5,11,19H,6-9H2
InChIKeyXYOSJLZCRHDGEN-UHFFFAOYSA-N
MW312.36 g/mol
LogP4.12
Rot. Bonds5

About N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine

N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 115976693) has the molecular formula C15H15F3N2S and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine
PubChem CID115976693
Molecular FormulaC15H15F3N2S
Molecular Weight312.36 g/mol
Exact Mass312.09
IUPAC NameN-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine
SMILESFC(F)(F)c1nc(-c2ccccc2)c(CCNC2CC2)s1
InChIInChI=1S/C15H15F3N2S/c16-15(17,18)14-20-13(10-4-2-1-3-5-10)12(21-14)8-9-19-11-6-7-11/h1-5,11,19H,6-9H2
InChIKeyXYOSJLZCRHDGEN-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine (CID 115976693) is N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine is FC(F)(F)c1nc(-c2ccccc2)c(CCNC2CC2)s1.
What is the InChIKey of N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is XYOSJLZCRHDGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2S/c16-15(17,18)14-20-13(10-4-2-1-3-5-10)12(21-14)8-9-19-11-6-7-11/h1-5,11,19H,6-9H2.
What are the key properties of N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine?
N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 312.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 115976693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).