2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine

C13H11F3N2OS — CID 62076679

IUPAC2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine
SMILESNc1sc(C2CC2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)19-9-5-3-7(4-6-9)10-11(17)20-12(18-10)8-1-2-8/h3-6,8H,1-2,17H2
InChIKeyIKCKCTGUXDSGER-UHFFFAOYSA-N
MW300.31 g/mol
LogP4.17
Rot. Bonds3

About 2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine

2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine (PubChem CID 62076679) has the molecular formula C13H11F3N2OS and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine
PubChem CID62076679
Molecular FormulaC13H11F3N2OS
Molecular Weight300.31 g/mol
Exact Mass300.05
IUPAC Name2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine
SMILESNc1sc(C2CC2)nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2OS/c14-13(15,16)19-9-5-3-7(4-6-9)10-11(17)20-12(18-10)8-1-2-8/h3-6,8H,1-2,17H2
InChIKeyIKCKCTGUXDSGER-UHFFFAOYSA-N
XLogP4.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine?
The IUPAC name of 2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine (CID 62076679) is 2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine?
The canonical SMILES for 2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine is Nc1sc(C2CC2)nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine?
The InChIKey is IKCKCTGUXDSGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2OS/c14-13(15,16)19-9-5-3-7(4-6-9)10-11(17)20-12(18-10)8-1-2-8/h3-6,8H,1-2,17H2.
What are the key properties of 2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine?
2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine has a molecular weight of 300.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-amine is sourced from PubChem (CID 62076679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).