9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

C17H15F2N3O2S2 — CID 15020978

IUPAC9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(N3CCSCC3)c(F)c1n2C1CC1
InChIInChI=1S/C17H15F2N3O2S2/c18-10-7-9-13(12(19)14(10)21-3-5-25-6-4-21)22(8-1-2-8)17-11(15(9)23)16(24)20-26-17/h7-8H,1-6H2,(H,20,24)
InChIKeyRYVACIZWLLLECV-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.07
Rot. Bonds2

About 9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione

9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (PubChem CID 15020978) has the molecular formula C17H15F2N3O2S2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
PubChem CID15020978
Molecular FormulaC17H15F2N3O2S2
Molecular Weight395.46 g/mol
Exact Mass395.06
IUPAC Name9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]sc2c1c(=O)c1cc(F)c(N3CCSCC3)c(F)c1n2C1CC1
InChIInChI=1S/C17H15F2N3O2S2/c18-10-7-9-13(12(19)14(10)21-3-5-25-6-4-21)22(8-1-2-8)17-11(15(9)23)16(24)20-26-17/h7-8H,1-6H2,(H,20,24)
InChIKeyRYVACIZWLLLECV-UHFFFAOYSA-N
XLogP3.07
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione (CID 15020978) is 9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]sc2c1c(=O)c1cc(F)c(N3CCSCC3)c(F)c1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is RYVACIZWLLLECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2S2/c18-10-7-9-13(12(19)14(10)21-3-5-25-6-4-21)22(8-1-2-8)17-11(15(9)23)16(24)20-26-17/h7-8H,1-6H2,(H,20,24).
What are the key properties of 9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 395.46 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6,8-difluoro-7-thiomorpholin-4-yl-[1,2]thiazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 15020978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).