1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one

C19H16N4OS — CID 118271511

IUPAC1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3nccs3)cc21
InChIInChI=1S/C19H16N4OS/c1-2-23-16-11-17(22-19-20-8-9-25-19)21-12-14(16)10-15(18(23)24)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,20,21,22)
InChIKeyPMJUMPMHTIKJNZ-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.28
Rot. Bonds4

About 1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one

1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one (PubChem CID 118271511) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one
PubChem CID118271511
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3nccs3)cc21
InChIInChI=1S/C19H16N4OS/c1-2-23-16-11-17(22-19-20-8-9-25-19)21-12-14(16)10-15(18(23)24)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,20,21,22)
InChIKeyPMJUMPMHTIKJNZ-UHFFFAOYSA-N
XLogP4.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one?
The IUPAC name of 1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one (CID 118271511) is 1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one is CCn1c(=O)c(-c2ccccc2)cc2cnc(Nc3nccs3)cc21.
What is the InChIKey of 1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one?
The InChIKey is PMJUMPMHTIKJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-2-23-16-11-17(22-19-20-8-9-25-19)21-12-14(16)10-15(18(23)24)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,20,21,22).
What are the key properties of 1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one?
1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one has a molecular weight of 348.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenyl-7-(1,3-thiazol-2-ylamino)-1,6-naphthyridin-2-one is sourced from PubChem (CID 118271511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).