2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one

C19H16FN5OS — CID 146622523

IUPAC2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncs3)c2)(c2ccc(CF)cn2)N=C1N
InChIInChI=1S/C19H16FN5OS/c1-25-17(26)19(24-18(25)21,16-6-5-12(8-20)9-23-16)14-4-2-3-13(7-14)15-10-22-11-27-15/h2-7,9-11H,8H2,1H3,(H2,21,24)
InChIKeyZLGOXBMFUAEWQL-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.70
Rot. Bonds4

About 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one

2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one (PubChem CID 146622523) has the molecular formula C19H16FN5OS and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one
PubChem CID146622523
Molecular FormulaC19H16FN5OS
Molecular Weight381.44 g/mol
Exact Mass381.11
IUPAC Name2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncs3)c2)(c2ccc(CF)cn2)N=C1N
InChIInChI=1S/C19H16FN5OS/c1-25-17(26)19(24-18(25)21,16-6-5-12(8-20)9-23-16)14-4-2-3-13(7-14)15-10-22-11-27-15/h2-7,9-11H,8H2,1H3,(H2,21,24)
InChIKeyZLGOXBMFUAEWQL-UHFFFAOYSA-N
XLogP2.70
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one (CID 146622523) is 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one is CN1C(=O)C(c2cccc(-c3cncs3)c2)(c2ccc(CF)cn2)N=C1N.
What is the InChIKey of 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one?
The InChIKey is ZLGOXBMFUAEWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS/c1-25-17(26)19(24-18(25)21,16-6-5-12(8-20)9-23-16)14-4-2-3-13(7-14)15-10-22-11-27-15/h2-7,9-11H,8H2,1H3,(H2,21,24).
What are the key properties of 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one?
2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one has a molecular weight of 381.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[5-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one is sourced from PubChem (CID 146622523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).