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

C19H15F2N5OS — CID 146622774

IUPAC2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncs3)c2)(c2ccc(C(F)F)cn2)N=C1N
InChIInChI=1S/C19H15F2N5OS/c1-26-17(27)19(25-18(26)22,15-6-5-12(8-24-15)16(20)21)13-4-2-3-11(7-13)14-9-23-10-28-14/h2-10,16H,1H3,(H2,22,25)
InChIKeyIQOJEQKYRLCZPR-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.17
Rot. Bonds4

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

2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one (PubChem CID 146622774) has the molecular formula C19H15F2N5OS and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one
PubChem CID146622774
Molecular FormulaC19H15F2N5OS
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC Name2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncs3)c2)(c2ccc(C(F)F)cn2)N=C1N
InChIInChI=1S/C19H15F2N5OS/c1-26-17(27)19(25-18(26)22,15-6-5-12(8-24-15)16(20)21)13-4-2-3-11(7-13)14-9-23-10-28-14/h2-10,16H,1H3,(H2,22,25)
InChIKeyIQOJEQKYRLCZPR-UHFFFAOYSA-N
XLogP3.17
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.17
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-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one (CID 146622774) is 2-amino-5-[5-(difluoromethyl)-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-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one is CN1C(=O)C(c2cccc(-c3cncs3)c2)(c2ccc(C(F)F)cn2)N=C1N.
What is the InChIKey of 2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one?
The InChIKey is IQOJEQKYRLCZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5OS/c1-26-17(27)19(25-18(26)22,15-6-5-12(8-24-15)16(20)21)13-4-2-3-11(7-13)14-9-23-10-28-14/h2-10,16H,1H3,(H2,22,25).
What are the key properties of 2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one?
2-amino-5-[5-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one has a molecular weight of 399.43 g/mol, XLogP of 3.17, 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-(difluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]imidazol-4-one is sourced from PubChem (CID 146622774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).