2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide

C16H18N4O2S — CID 22559490

IUPAC2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCC(=O)Nc3ccccc32)s1
InChIInChI=1S/C16H18N4O2S/c1-10(2)13-9-17-15(23-13)19-16(22)20-8-7-14(21)18-11-5-3-4-6-12(11)20/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,17,19,22)
InChIKeyMCKIJZCAHMAYRG-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.65
Rot. Bonds2

About 2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide

2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide (PubChem CID 22559490) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
PubChem CID22559490
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCC(=O)Nc3ccccc32)s1
InChIInChI=1S/C16H18N4O2S/c1-10(2)13-9-17-15(23-13)19-16(22)20-8-7-14(21)18-11-5-3-4-6-12(11)20/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,17,19,22)
InChIKeyMCKIJZCAHMAYRG-UHFFFAOYSA-N
XLogP3.65
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide 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 2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The IUPAC name of 2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide (CID 22559490) is 2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide.
What is the SMILES notation for 2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The canonical SMILES for 2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide is CC(C)c1cnc(NC(=O)N2CCC(=O)Nc3ccccc32)s1.
What is the InChIKey of 2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
The InChIKey is MCKIJZCAHMAYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10(2)13-9-17-15(23-13)19-16(22)20-8-7-14(21)18-11-5-3-4-6-12(11)20/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)(H,17,19,22).
What are the key properties of 2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide?
2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(5-propan-2-yl-1,3-thiazol-2-yl)-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide is sourced from PubChem (CID 22559490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).