2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine

C12H9F3N2S — CID 114058102

IUPAC2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine
SMILESNc1sc(C2CC2)nc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C12H9F3N2S/c13-7-4-9(15)8(14)3-6(7)10-11(16)18-12(17-10)5-1-2-5/h3-5H,1-2,16H2
InChIKeyPFVRLTHACRWUAS-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.69
Rot. Bonds2

About 2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine

2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine (PubChem CID 114058102) has the molecular formula C12H9F3N2S and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine
PubChem CID114058102
Molecular FormulaC12H9F3N2S
Molecular Weight270.28 g/mol
Exact Mass270.04
IUPAC Name2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine
SMILESNc1sc(C2CC2)nc1-c1cc(F)c(F)cc1F
InChIInChI=1S/C12H9F3N2S/c13-7-4-9(15)8(14)3-6(7)10-11(16)18-12(17-10)5-1-2-5/h3-5H,1-2,16H2
InChIKeyPFVRLTHACRWUAS-UHFFFAOYSA-N
XLogP3.69
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine (CID 114058102) is 2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine is Nc1sc(C2CC2)nc1-c1cc(F)c(F)cc1F.
What is the InChIKey of 2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine?
The InChIKey is PFVRLTHACRWUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2S/c13-7-4-9(15)8(14)3-6(7)10-11(16)18-12(17-10)5-1-2-5/h3-5H,1-2,16H2.
What are the key properties of 2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine?
2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine has a molecular weight of 270.28 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,4,5-trifluorophenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 114058102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).