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

C19H14F3N5OS — CID 146622512

IUPAC2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cncc(CF)c2)(c2cc(F)c(F)c(-c3cncs3)c2)N=C1N
InChIInChI=1S/C19H14F3N5OS/c1-27-17(28)19(26-18(27)23,12-2-10(5-20)6-24-7-12)11-3-13(15-8-25-9-29-15)16(22)14(21)4-11/h2-4,6-9H,5H2,1H3,(H2,23,26)
InChIKeyGMKQXQCWNWCEOZ-UHFFFAOYSA-N
MW417.42 g/mol
LogP2.98
Rot. Bonds4

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

2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one (PubChem CID 146622512) has the molecular formula C19H14F3N5OS and a molecular weight of 417.42 g/mol. Its IUPAC name is 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
PubChem CID146622512
Molecular FormulaC19H14F3N5OS
Molecular Weight417.42 g/mol
Exact Mass417.09
IUPAC Name2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cncc(CF)c2)(c2cc(F)c(F)c(-c3cncs3)c2)N=C1N
InChIInChI=1S/C19H14F3N5OS/c1-27-17(28)19(26-18(27)23,12-2-10(5-20)6-24-7-12)11-3-13(15-8-25-9-29-15)16(22)14(21)4-11/h2-4,6-9H,5H2,1H3,(H2,23,26)
InChIKeyGMKQXQCWNWCEOZ-UHFFFAOYSA-N
XLogP2.98
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one (CID 146622512) is 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cncc(CF)c2)(c2cc(F)c(F)c(-c3cncs3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
The InChIKey is GMKQXQCWNWCEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5OS/c1-27-17(28)19(26-18(27)23,12-2-10(5-20)6-24-7-12)11-3-13(15-8-25-9-29-15)16(22)14(21)4-11/h2-4,6-9H,5H2,1H3,(H2,23,26).
What are the key properties of 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one?
2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one has a molecular weight of 417.42 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-5-yl)phenyl]-5-[5-(fluoromethyl)-3-pyridinyl]-3-methylimidazol-4-one is sourced from PubChem (CID 146622512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).