2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one

C13H12N2O2S — CID 776318

IUPAC2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESO=C1NCCCc2nc(Oc3ccccc3)sc21
InChIInChI=1S/C13H12N2O2S/c16-12-11-10(7-4-8-14-12)15-13(18-11)17-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,16)
InChIKeySWHLSNROQDBUCU-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.61
Rot. Bonds2

About 2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one

2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one (PubChem CID 776318) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one.

Molecular Properties

Compound Name2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
PubChem CID776318
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESO=C1NCCCc2nc(Oc3ccccc3)sc21
InChIInChI=1S/C13H12N2O2S/c16-12-11-10(7-4-8-14-12)15-13(18-11)17-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,16)
InChIKeySWHLSNROQDBUCU-UHFFFAOYSA-N
XLogP2.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenoxy)-N-(4-oxo-5,6,7,8-tetrahydro-4H-thiazolo[5,4-c]azepin-2-yl)acetamide
CID 72719977
N-[2-(4-fluorophenoxy)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 30349632
N-[2-(4-fluorophenoxy)ethyl]-2-iodo-4-methyl-1,3-thiazole-5-carboxamide
CID 68648571
N-cyclopentyl-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753385
2-[(4-fluorophenoxy)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 17468255
2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24247320
N-cyclopropyl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24248190
2-[(4-fluorophenoxy)methyl]-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 24624252
2-[(4-fluorophenoxy)methyl]-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 24624864
2-[(4-fluorophenoxy)methyl]-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 24624886
N-butyl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24625147
N-butan-2-yl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24638570

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
The IUPAC name of 2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one (CID 776318) is 2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one.
What is the SMILES notation for 2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
The canonical SMILES for 2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one is O=C1NCCCc2nc(Oc3ccccc3)sc21.
What is the InChIKey of 2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
The InChIKey is SWHLSNROQDBUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c16-12-11-10(7-4-8-14-12)15-13(18-11)17-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,16).
What are the key properties of 2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one has a molecular weight of 260.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one is sourced from PubChem (CID 776318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).