N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide

C15H22N4O2S — CID 72870322

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide
SMILESCc1csc(CN(C)C(=O)CN2C[C@@H]3CC[C@H](CC2=O)N3)n1
InChIInChI=1S/C15H22N4O2S/c1-10-9-22-13(16-10)7-18(2)15(21)8-19-6-12-4-3-11(17-12)5-14(19)20/h9,11-12,17H,3-8H2,1-2H3/t11-,12+/m1/s1
InChIKeyQXAKAWHCZRVEBX-NEPJUHHUSA-N
MW322.43 g/mol
LogP0.76
Rot. Bonds4

About N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide

N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide (PubChem CID 72870322) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide
PubChem CID72870322
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide
SMILESCc1csc(CN(C)C(=O)CN2C[C@@H]3CC[C@H](CC2=O)N3)n1
InChIInChI=1S/C15H22N4O2S/c1-10-9-22-13(16-10)7-18(2)15(21)8-19-6-12-4-3-11(17-12)5-14(19)20/h9,11-12,17H,3-8H2,1-2H3/t11-,12+/m1/s1
InChIKeyQXAKAWHCZRVEBX-NEPJUHHUSA-N
XLogP0.76
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide 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 N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide (CID 72870322) is N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide is Cc1csc(CN(C)C(=O)CN2C[C@@H]3CC[C@H](CC2=O)N3)n1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide?
The InChIKey is QXAKAWHCZRVEBX-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-10-9-22-13(16-10)7-18(2)15(21)8-19-6-12-4-3-11(17-12)5-14(19)20/h9,11-12,17H,3-8H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide?
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide has a molecular weight of 322.43 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-[(1S,6R)-4-oxo-3,9-diazabicyclo[4.2.1]nonan-3-yl]acetamide is sourced from PubChem (CID 72870322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).