2-amino-5-[3,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one

C19H14F3N5OS — CID 147663466

IUPAC2-amino-5-[3,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(F)c(F)c(-c3cscn3)c2)(c2cccc(CF)n2)N=C1N
InChIInChI=1S/C19H14F3N5OS/c1-27-17(28)19(26-18(27)23,15-4-2-3-11(7-20)25-15)10-5-12(14-8-29-9-24-14)16(22)13(21)6-10/h2-6,8-9H,7H2,1H3,(H2,23,26)
InChIKeyGLVDEBHHPRRBDM-UHFFFAOYSA-N
MW417.42 g/mol
LogP2.98
Rot. Bonds4

About 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one

2-amino-5-[3,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one (PubChem CID 147663466) 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-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one
PubChem CID147663466
Molecular FormulaC19H14F3N5OS
Molecular Weight417.42 g/mol
Exact Mass417.09
IUPAC Name2-amino-5-[3,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cc(F)c(F)c(-c3cscn3)c2)(c2cccc(CF)n2)N=C1N
InChIInChI=1S/C19H14F3N5OS/c1-27-17(28)19(26-18(27)23,15-4-2-3-11(7-20)25-15)10-5-12(14-8-29-9-24-14)16(22)13(21)6-10/h2-6,8-9H,7H2,1H3,(H2,23,26)
InChIKeyGLVDEBHHPRRBDM-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-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one (CID 147663466) is 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one is CN1C(=O)C(c2cc(F)c(F)c(-c3cscn3)c2)(c2cccc(CF)n2)N=C1N.
What is the InChIKey of 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one?
The InChIKey is GLVDEBHHPRRBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5OS/c1-27-17(28)19(26-18(27)23,15-4-2-3-11(7-20)25-15)10-5-12(14-8-29-9-24-14)16(22)13(21)6-10/h2-6,8-9H,7H2,1H3,(H2,23,26).
What are the key properties of 2-amino-5-[3,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one?
2-amino-5-[3,4-difluoro-5-(1,3-thiazol-4-yl)phenyl]-5-[6-(fluoromethyl)-2-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-4-yl)phenyl]-5-[6-(fluoromethyl)-2-pyridinyl]-3-methylimidazol-4-one is sourced from PubChem (CID 147663466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).