1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one

C11H7N3OS — CID 91043094

IUPAC1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one
SMILESO=c1ccn(-c2nccs2)c2ncccc12
InChIInChI=1S/C11H7N3OS/c15-9-3-6-14(11-13-5-7-16-11)10-8(9)2-1-4-12-10/h1-7H
InChIKeyZWMDOPPVJFASAP-UHFFFAOYSA-N
MW229.26 g/mol
LogP1.84
Rot. Bonds1

About 1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one

1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one (PubChem CID 91043094) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one
PubChem CID91043094
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one
SMILESO=c1ccn(-c2nccs2)c2ncccc12
InChIInChI=1S/C11H7N3OS/c15-9-3-6-14(11-13-5-7-16-11)10-8(9)2-1-4-12-10/h1-7H
InChIKeyZWMDOPPVJFASAP-UHFFFAOYSA-N
XLogP1.84
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one?
The IUPAC name of 1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one (CID 91043094) is 1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one is O=c1ccn(-c2nccs2)c2ncccc12.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one?
The InChIKey is ZWMDOPPVJFASAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c15-9-3-6-14(11-13-5-7-16-11)10-8(9)2-1-4-12-10/h1-7H.
What are the key properties of 1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one?
1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one has a molecular weight of 229.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 91043094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).