7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione

C12H9FN4O2S — CID 70849221

IUPAC7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESNc1nc2c(cc1F)c(=O)c1c(=O)[nH]sc1n2C1CC1
InChIInChI=1S/C12H9FN4O2S/c13-6-3-5-8(18)7-11(19)16-20-12(7)17(4-1-2-4)10(5)15-9(6)14/h3-4H,1-2H2,(H2,14,15)(H,16,19)
InChIKeyBMVUTLUPANSHIG-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.36
Rot. Bonds1

About 7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione

7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione (PubChem CID 70849221) has the molecular formula C12H9FN4O2S and a molecular weight of 292.29 g/mol. Its IUPAC name is 7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione.

Molecular Properties

Compound Name7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
PubChem CID70849221
Molecular FormulaC12H9FN4O2S
Molecular Weight292.29 g/mol
Exact Mass292.04
IUPAC Name7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESNc1nc2c(cc1F)c(=O)c1c(=O)[nH]sc1n2C1CC1
InChIInChI=1S/C12H9FN4O2S/c13-6-3-5-8(18)7-11(19)16-20-12(7)17(4-1-2-4)10(5)15-9(6)14/h3-4H,1-2H2,(H2,14,15)(H,16,19)
InChIKeyBMVUTLUPANSHIG-UHFFFAOYSA-N
XLogP1.36
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The IUPAC name of 7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione (CID 70849221) is 7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione.
What is the SMILES notation for 7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The canonical SMILES for 7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione is Nc1nc2c(cc1F)c(=O)c1c(=O)[nH]sc1n2C1CC1.
What is the InChIKey of 7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The InChIKey is BMVUTLUPANSHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2S/c13-6-3-5-8(18)7-11(19)16-20-12(7)17(4-1-2-4)10(5)15-9(6)14/h3-4H,1-2H2,(H2,14,15)(H,16,19).
What are the key properties of 7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione has a molecular weight of 292.29 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione is sourced from PubChem (CID 70849221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).