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

C12H10N4O2S — CID 20983674

IUPAC7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESNc1nc(-c2ccc3c(c2)NC(=O)CC(=O)N3)cs1
InChIInChI=1S/C12H10N4O2S/c13-12-16-9(5-19-12)6-1-2-7-8(3-6)15-11(18)4-10(17)14-7/h1-3,5H,4H2,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyXRLKEXBAVZXMMA-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.67
Rot. Bonds1

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

7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione (PubChem CID 20983674) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Name7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
PubChem CID20983674
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
SMILESNc1nc(-c2ccc3c(c2)NC(=O)CC(=O)N3)cs1
InChIInChI=1S/C12H10N4O2S/c13-12-16-9(5-19-12)6-1-2-7-8(3-6)15-11(18)4-10(17)14-7/h1-3,5H,4H2,(H2,13,16)(H,14,17)(H,15,18)
InChIKeyXRLKEXBAVZXMMA-UHFFFAOYSA-N
XLogP1.67
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.67
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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Related Compounds

6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 2061961
7-(2-amino-5-methyl-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 20983675
5-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 135570014
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
5-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)-1H-pyridazin-6-one
CID 82445602
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 22109313
5-[2-(2-methylpropylamino)-1,3-thiazol-4-yl]-1,3-dihydroindol-2-one
CID 9343328
3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
CID 116866806
6-(2-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 22693688
6-(2-cyclopropyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 35618773
4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
CID 82025072

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The IUPAC name of 7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione (CID 20983674) is 7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for 7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for 7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione is Nc1nc(-c2ccc3c(c2)NC(=O)CC(=O)N3)cs1.
What is the InChIKey of 7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
The InChIKey is XRLKEXBAVZXMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c13-12-16-9(5-19-12)6-1-2-7-8(3-6)15-11(18)4-10(17)14-7/h1-3,5H,4H2,(H2,13,16)(H,14,17)(H,15,18).
What are the key properties of 7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione?
7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione has a molecular weight of 274.31 g/mol, XLogP of 1.67, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-1,3-thiazol-4-yl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 20983674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).