3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione

C12H15N3O3S — CID 106383687

IUPAC3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
SMILESO=C1CCN(Cc2csc(=O)[nH]2)C(=O)C(C2CC2)N1
InChIInChI=1S/C12H15N3O3S/c16-9-3-4-15(5-8-6-19-12(18)13-8)11(17)10(14-9)7-1-2-7/h6-7,10H,1-5H2,(H,13,18)(H,14,16)
InChIKeyTVOIVOYHZXYFOQ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.06
Rot. Bonds3

About 3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione

3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione (PubChem CID 106383687) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
PubChem CID106383687
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione
SMILESO=C1CCN(Cc2csc(=O)[nH]2)C(=O)C(C2CC2)N1
InChIInChI=1S/C12H15N3O3S/c16-9-3-4-15(5-8-6-19-12(18)13-8)11(17)10(14-9)7-1-2-7/h6-7,10H,1-5H2,(H,13,18)(H,14,16)
InChIKeyTVOIVOYHZXYFOQ-UHFFFAOYSA-N
XLogP0.06
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-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 3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione (CID 106383687) is 3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione is O=C1CCN(Cc2csc(=O)[nH]2)C(=O)C(C2CC2)N1.
What is the InChIKey of 3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione?
The InChIKey is TVOIVOYHZXYFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-9-3-4-15(5-8-6-19-12(18)13-8)11(17)10(14-9)7-1-2-7/h6-7,10H,1-5H2,(H,13,18)(H,14,16).
What are the key properties of 3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione?
3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione has a molecular weight of 281.34 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 106383687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).