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

C11H17N3OS — CID 917482

IUPAC2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESCCN(CC)c1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C11H17N3OS/c1-3-14(4-2)11-13-8-6-5-7-12-10(15)9(8)16-11/h3-7H2,1-2H3,(H,12,15)
InChIKeyYADXOSKEVUYQSL-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.67
Rot. Bonds3

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

2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one (PubChem CID 917482) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one.

Molecular Properties

Compound Name2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
PubChem CID917482
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one
SMILESCCN(CC)c1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C11H17N3OS/c1-3-14(4-2)11-13-8-6-5-7-12-10(15)9(8)16-11/h3-7H2,1-2H3,(H,12,15)
InChIKeyYADXOSKEVUYQSL-UHFFFAOYSA-N
XLogP1.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(diethylamino)-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

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
The IUPAC name of 2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one (CID 917482) is 2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one.
What is the SMILES notation for 2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
The canonical SMILES for 2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one is CCN(CC)c1nc2c(s1)C(=O)NCCC2.
What is the InChIKey of 2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
The InChIKey is YADXOSKEVUYQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-14(4-2)11-13-8-6-5-7-12-10(15)9(8)16-11/h3-7H2,1-2H3,(H,12,15).
What are the key properties of 2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one?
2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one has a molecular weight of 239.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-4-one is sourced from PubChem (CID 917482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).