2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one

C19H15F4N5OS — CID 162610566

IUPAC2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
SMILESC=C/C=C(\C=C(/F)C1(c2cncc(C(F)(F)F)c2)N=C(N)N(C)C1=O)c1cncs1
InChIInChI=1S/C19H15F4N5OS/c1-3-4-11(14-9-26-10-30-14)5-15(20)18(16(29)28(2)17(24)27-18)12-6-13(8-25-7-12)19(21,22)23/h3-10H,1H2,2H3,(H2,24,27)/b11-4+,15-5-
InChIKeyUEHDHRQPLQCERF-FTWXRGHDSA-N
MW437.42 g/mol
LogP3.66
Rot. Bonds5

About 2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one

2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one (PubChem CID 162610566) has the molecular formula C19H15F4N5OS and a molecular weight of 437.42 g/mol. Its IUPAC name is 2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
PubChem CID162610566
Molecular FormulaC19H15F4N5OS
Molecular Weight437.42 g/mol
Exact Mass437.09
IUPAC Name2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one
SMILESC=C/C=C(\C=C(/F)C1(c2cncc(C(F)(F)F)c2)N=C(N)N(C)C1=O)c1cncs1
InChIInChI=1S/C19H15F4N5OS/c1-3-4-11(14-9-26-10-30-14)5-15(20)18(16(29)28(2)17(24)27-18)12-6-13(8-25-7-12)19(21,22)23/h3-10H,1H2,2H3,(H2,24,27)/b11-4+,15-5-
InChIKeyUEHDHRQPLQCERF-FTWXRGHDSA-N
XLogP3.66
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one 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-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one (CID 162610566) is 2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one is C=C/C=C(\C=C(/F)C1(c2cncc(C(F)(F)F)c2)N=C(N)N(C)C1=O)c1cncs1.
What is the InChIKey of 2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
The InChIKey is UEHDHRQPLQCERF-FTWXRGHDSA-N. The full InChI is InChI=1S/C19H15F4N5OS/c1-3-4-11(14-9-26-10-30-14)5-15(20)18(16(29)28(2)17(24)27-18)12-6-13(8-25-7-12)19(21,22)23/h3-10H,1H2,2H3,(H2,24,27)/b11-4+,15-5-.
What are the key properties of 2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one?
2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one has a molecular weight of 437.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1Z,3E)-1-fluoro-3-(1,3-thiazol-5-yl)hexa-1,3,5-trienyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one is sourced from PubChem (CID 162610566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).