5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione

C12H10N4O2S — CID 55110287

IUPAC5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione
SMILESO=c1[nH][nH]c(=O)c2c(NCc3cncs3)cccc12
InChIInChI=1S/C12H10N4O2S/c17-11-8-2-1-3-9(10(8)12(18)16-15-11)14-5-7-4-13-6-19-7/h1-4,6,14H,5H2,(H,15,17)(H,16,18)
InChIKeyBFZNTWDGTURRSV-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.28
Rot. Bonds3

About 5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione

5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione (PubChem CID 55110287) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione.

Molecular Properties

Compound Name5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione
PubChem CID55110287
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione
SMILESO=c1[nH][nH]c(=O)c2c(NCc3cncs3)cccc12
InChIInChI=1S/C12H10N4O2S/c17-11-8-2-1-3-9(10(8)12(18)16-15-11)14-5-7-4-13-6-19-7/h1-4,6,14H,5H2,(H,15,17)(H,16,18)
InChIKeyBFZNTWDGTURRSV-UHFFFAOYSA-N
XLogP1.28
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione?
The IUPAC name of 5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione (CID 55110287) is 5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione.
What is the SMILES notation for 5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione?
The canonical SMILES for 5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione is O=c1[nH][nH]c(=O)c2c(NCc3cncs3)cccc12.
What is the InChIKey of 5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione?
The InChIKey is BFZNTWDGTURRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c17-11-8-2-1-3-9(10(8)12(18)16-15-11)14-5-7-4-13-6-19-7/h1-4,6,14H,5H2,(H,15,17)(H,16,18).
What are the key properties of 5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione?
5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione has a molecular weight of 274.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione is sourced from PubChem (CID 55110287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).