4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C18H16F3N3OS — CID 156518284

IUPAC4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1
InChIInChI=1S/C18H16F3N3OS/c1-2-8-25-16-9-12(6-7-22-16)15-11-26-17(24-15)23-14-5-3-4-13(10-14)18(19,20)21/h3-7,9-11H,2,8H2,1H3,(H,23,24)
InChIKeyDXVJKUKSHWYEGN-UHFFFAOYSA-N
MW379.41 g/mol
LogP5.76
Rot. Bonds6

About 4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 156518284) has the molecular formula C18H16F3N3OS and a molecular weight of 379.41 g/mol. Its IUPAC name is 4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID156518284
Molecular FormulaC18H16F3N3OS
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC Name4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCCCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1
InChIInChI=1S/C18H16F3N3OS/c1-2-8-25-16-9-12(6-7-22-16)15-11-26-17(24-15)23-14-5-3-4-13(10-14)18(19,20)21/h3-7,9-11H,2,8H2,1H3,(H,23,24)
InChIKeyDXVJKUKSHWYEGN-UHFFFAOYSA-N
XLogP5.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.41
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-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 4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 156518284) is 4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CCCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.
What is the InChIKey of 4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is DXVJKUKSHWYEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3OS/c1-2-8-25-16-9-12(6-7-22-16)15-11-26-17(24-15)23-14-5-3-4-13(10-14)18(19,20)21/h3-7,9-11H,2,8H2,1H3,(H,23,24).
What are the key properties of 4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 379.41 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 156518284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).