N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

C11H15N3O2S — CID 611235

IUPACN-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(s1)C(=O)NCC(C)(C)C2
InChIInChI=1S/C11H15N3O2S/c1-6(15)13-10-14-7-4-11(2,3)5-12-9(16)8(7)17-10/h4-5H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeyQRQKSPKJHPMRSQ-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.41
Rot. Bonds1

About N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (PubChem CID 611235) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
PubChem CID611235
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
SMILESCC(=O)Nc1nc2c(s1)C(=O)NCC(C)(C)C2
InChIInChI=1S/C11H15N3O2S/c1-6(15)13-10-14-7-4-11(2,3)5-12-9(16)8(7)17-10/h4-5H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeyQRQKSPKJHPMRSQ-UHFFFAOYSA-N
XLogP1.41
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-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-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The IUPAC name of N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (CID 611235) is N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.
What is the SMILES notation for N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The canonical SMILES for N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is CC(=O)Nc1nc2c(s1)C(=O)NCC(C)(C)C2.
What is the InChIKey of N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The InChIKey is QRQKSPKJHPMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-6(15)13-10-14-7-4-11(2,3)5-12-9(16)8(7)17-10/h4-5H2,1-3H3,(H,12,16)(H,13,14,15).
What are the key properties of N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide has a molecular weight of 253.33 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-4-oxo-6,8-dihydro-5H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is sourced from PubChem (CID 611235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).