N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C15H11F3N4OS — CID 44590149

IUPACN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N4OS/c1-23-11-7-9(15(16,17)18)6-10(8-11)21-14-20-3-2-12(22-14)13-19-4-5-24-13/h2-8H,1H3,(H,20,21,22)
InChIKeyQPSIQVQZGHKFDD-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.37
Rot. Bonds4

About N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 44590149) has the molecular formula C15H11F3N4OS and a molecular weight of 352.34 g/mol. Its IUPAC name is N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID44590149
Molecular FormulaC15H11F3N4OS
Molecular Weight352.34 g/mol
Exact Mass352.06
IUPAC NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCOc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H11F3N4OS/c1-23-11-7-9(15(16,17)18)6-10(8-11)21-14-20-3-2-12(22-14)13-19-4-5-24-13/h2-8H,1H3,(H,20,21,22)
InChIKeyQPSIQVQZGHKFDD-UHFFFAOYSA-N
XLogP4.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-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 N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 44590149) is N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is COc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is QPSIQVQZGHKFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4OS/c1-23-11-7-9(15(16,17)18)6-10(8-11)21-14-20-3-2-12(22-14)13-19-4-5-24-13/h2-8H,1H3,(H,20,21,22).
What are the key properties of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 352.34 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 44590149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).