4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one

C19H15N3O2S — CID 23144116

IUPAC4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one
SMILESNc1nc(-c2ccco2)c(-c2ccn(Cc3ccccc3)c(=O)c2)s1
InChIInChI=1S/C19H15N3O2S/c20-19-21-17(15-7-4-10-24-15)18(25-19)14-8-9-22(16(23)11-14)12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,20,21)
InChIKeySZVILBBCZQROTA-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.86
Rot. Bonds4

About 4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one

4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one (PubChem CID 23144116) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one.

Molecular Properties

Compound Name4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one
PubChem CID23144116
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one
SMILESNc1nc(-c2ccco2)c(-c2ccn(Cc3ccccc3)c(=O)c2)s1
InChIInChI=1S/C19H15N3O2S/c20-19-21-17(15-7-4-10-24-15)18(25-19)14-8-9-22(16(23)11-14)12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,20,21)
InChIKeySZVILBBCZQROTA-UHFFFAOYSA-N
XLogP3.86
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one?
The IUPAC name of 4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one (CID 23144116) is 4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one.
What is the SMILES notation for 4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one?
The canonical SMILES for 4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one is Nc1nc(-c2ccco2)c(-c2ccn(Cc3ccccc3)c(=O)c2)s1.
What is the InChIKey of 4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one?
The InChIKey is SZVILBBCZQROTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c20-19-21-17(15-7-4-10-24-15)18(25-19)14-8-9-22(16(23)11-14)12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,20,21).
What are the key properties of 4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one?
4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one has a molecular weight of 349.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(furan-2-yl)-1,3-thiazol-5-yl]-1-benzylpyridin-2-one is sourced from PubChem (CID 23144116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).