N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

C13H19F3N2S — CID 114364519

IUPACN-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCCc1nc(CCC(F)(F)F)sc1CNC1CC1
InChIInChI=1S/C13H19F3N2S/c1-2-3-10-11(8-17-9-4-5-9)19-12(18-10)6-7-13(14,15)16/h9,17H,2-8H2,1H3
InChIKeyVOEBJEZRGVEOQD-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.84
Rot. Bonds7

About N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine

N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (PubChem CID 114364519) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
PubChem CID114364519
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
SMILESCCCc1nc(CCC(F)(F)F)sc1CNC1CC1
InChIInChI=1S/C13H19F3N2S/c1-2-3-10-11(8-17-9-4-5-9)19-12(18-10)6-7-13(14,15)16/h9,17H,2-8H2,1H3
InChIKeyVOEBJEZRGVEOQD-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine (CID 114364519) is N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is CCCc1nc(CCC(F)(F)F)sc1CNC1CC1.
What is the InChIKey of N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
The InChIKey is VOEBJEZRGVEOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-2-3-10-11(8-17-9-4-5-9)19-12(18-10)6-7-13(14,15)16/h9,17H,2-8H2,1H3.
What are the key properties of N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine?
N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine has a molecular weight of 292.37 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-propyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114364519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).