4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine

C13H13F3N2S — CID 62813752

IUPAC4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H13F3N2S/c1-2-3-10-11(19-13(17)18-10)6-7-4-8(14)12(16)9(15)5-7/h4-5H,2-3,6H2,1H3,(H2,17,18)
InChIKeyFOVANIDVJVTQQL-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.69
Rot. Bonds4

About 4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine

4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 62813752) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID62813752
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESCCCc1nc(N)sc1Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H13F3N2S/c1-2-3-10-11(19-13(17)18-10)6-7-4-8(14)12(16)9(15)5-7/h4-5H,2-3,6H2,1H3,(H2,17,18)
InChIKeyFOVANIDVJVTQQL-UHFFFAOYSA-N
XLogP3.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine (CID 62813752) is 4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine is CCCc1nc(N)sc1Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of 4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is FOVANIDVJVTQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-2-3-10-11(19-13(17)18-10)6-7-4-8(14)12(16)9(15)5-7/h4-5H,2-3,6H2,1H3,(H2,17,18).
What are the key properties of 4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine?
4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 286.32 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-5-[(3,4,5-trifluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62813752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).