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

C12H7ClFN3O2S — CID 15121566

IUPAC7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(Cl)nc1n2C1CC1
InChIInChI=1S/C12H7ClFN3O2S/c13-9-6(14)3-5-8(18)7-11(19)16-20-12(7)17(4-1-2-4)10(5)15-9/h3-4H,1-2H2,(H,16,19)
InChIKeyPJDBVEVINGIWMQ-UHFFFAOYSA-N
MW311.73 g/mol
LogP2.43
Rot. Bonds1

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

7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione (PubChem CID 15121566) has the molecular formula C12H7ClFN3O2S and a molecular weight of 311.73 g/mol. Its IUPAC name is 7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione.

Molecular Properties

Compound Name7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
PubChem CID15121566
Molecular FormulaC12H7ClFN3O2S
Molecular Weight311.73 g/mol
Exact Mass310.99
IUPAC Name7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(Cl)nc1n2C1CC1
InChIInChI=1S/C12H7ClFN3O2S/c13-9-6(14)3-5-8(18)7-11(19)16-20-12(7)17(4-1-2-4)10(5)15-9/h3-4H,1-2H2,(H,16,19)
InChIKeyPJDBVEVINGIWMQ-UHFFFAOYSA-N
XLogP2.43
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The IUPAC name of 7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione (CID 15121566) is 7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione.
What is the SMILES notation for 7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The canonical SMILES for 7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(Cl)nc1n2C1CC1.
What is the InChIKey of 7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
The InChIKey is PJDBVEVINGIWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O2S/c13-9-6(14)3-5-8(18)7-11(19)16-20-12(7)17(4-1-2-4)10(5)15-9/h3-4H,1-2H2,(H,16,19).
What are the key properties of 7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione?
7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione has a molecular weight of 311.73 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione is sourced from PubChem (CID 15121566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).