5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C15H13N5O4S2 — CID 176729778

IUPAC5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCOc1cccc2nc(-c3cccs3)nc(NN3CC(=O)NS3(=O)=O)c12
InChIInChI=1S/C15H13N5O4S2/c1-24-10-5-2-4-9-13(10)15(17-14(16-9)11-6-3-7-25-11)18-20-8-12(21)19-26(20,22)23/h2-7H,8H2,1H3,(H,19,21)(H,16,17,18)
InChIKeyXROUOFOIMRZIRP-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.37
Rot. Bonds4

About 5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 176729778) has the molecular formula C15H13N5O4S2 and a molecular weight of 391.43 g/mol. Its IUPAC name is 5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID176729778
Molecular FormulaC15H13N5O4S2
Molecular Weight391.43 g/mol
Exact Mass391.04
IUPAC Name5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESCOc1cccc2nc(-c3cccs3)nc(NN3CC(=O)NS3(=O)=O)c12
InChIInChI=1S/C15H13N5O4S2/c1-24-10-5-2-4-9-13(10)15(17-14(16-9)11-6-3-7-25-11)18-20-8-12(21)19-26(20,22)23/h2-7H,8H2,1H3,(H,19,21)(H,16,17,18)
InChIKeyXROUOFOIMRZIRP-UHFFFAOYSA-N
XLogP1.37
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 176729778) is 5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is COc1cccc2nc(-c3cccs3)nc(NN3CC(=O)NS3(=O)=O)c12.
What is the InChIKey of 5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is XROUOFOIMRZIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S2/c1-24-10-5-2-4-9-13(10)15(17-14(16-9)11-6-3-7-25-11)18-20-8-12(21)19-26(20,22)23/h2-7H,8H2,1H3,(H,19,21)(H,16,17,18).
What are the key properties of 5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 391.43 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxy-2-thiophen-2-ylquinazolin-4-yl)amino]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 176729778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).