7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione

C13H12N4O2S — CID 20983675

IUPAC7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESCc1sc(N)nc1-c1ccc2c(c1)NC(=O)CC(=O)N2
InChIInChI=1S/C13H12N4O2S/c1-6-12(17-13(14)20-6)7-2-3-8-9(4-7)16-11(19)5-10(18)15-8/h2-4H,5H2,1H3,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyQWFOKAXAEDRPMH-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.98
Rot. Bonds1

About 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione

7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione (PubChem CID 20983675) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Name7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
PubChem CID20983675
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESCc1sc(N)nc1-c1ccc2c(c1)NC(=O)CC(=O)N2
InChIInChI=1S/C13H12N4O2S/c1-6-12(17-13(14)20-6)7-2-3-8-9(4-7)16-11(19)5-10(18)15-8/h2-4H,5H2,1H3,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyQWFOKAXAEDRPMH-UHFFFAOYSA-N
XLogP1.98
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The IUPAC name of 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione (CID 20983675) is 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione is Cc1sc(N)nc1-c1ccc2c(c1)NC(=O)CC(=O)N2.
What is the InChIKey of 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The InChIKey is QWFOKAXAEDRPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-6-12(17-13(14)20-6)7-2-3-8-9(4-7)16-11(19)5-10(18)15-8/h2-4H,5H2,1H3,(H2,14,17)(H,15,18)(H,16,19).
What are the key properties of 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione has a molecular weight of 288.33 g/mol, XLogP of 1.98, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 20983675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).