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

C12H15F3N2S — CID 106784481

IUPACN-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine
SMILESCC(=CCCNC1CC1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H15F3N2S/c1-8(3-2-6-16-9-4-5-9)10-7-17-11(18-10)12(13,14)15/h3,7,9,16H,2,4-6H2,1H3
InChIKeyWJRLNHWVDBGEFM-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.71
Rot. Bonds5

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

N-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine (PubChem CID 106784481) has the molecular formula C12H15F3N2S and a molecular weight of 276.33 g/mol. Its IUPAC name is N-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine
PubChem CID106784481
Molecular FormulaC12H15F3N2S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC NameN-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine
SMILESCC(=CCCNC1CC1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H15F3N2S/c1-8(3-2-6-16-9-4-5-9)10-7-17-11(18-10)12(13,14)15/h3,7,9,16H,2,4-6H2,1H3
InChIKeyWJRLNHWVDBGEFM-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine?
The IUPAC name of N-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine (CID 106784481) is N-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine.
What is the SMILES notation for N-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine?
The canonical SMILES for N-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine is CC(=CCCNC1CC1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine?
The InChIKey is WJRLNHWVDBGEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2S/c1-8(3-2-6-16-9-4-5-9)10-7-17-11(18-10)12(13,14)15/h3,7,9,16H,2,4-6H2,1H3.
What are the key properties of N-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine?
N-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine has a molecular weight of 276.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-enyl]cyclopropanamine is sourced from PubChem (CID 106784481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).