2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine

C12H20N2S — CID 144812760

IUPAC2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine
SMILESCc1nc2c(s1)CNCCC2(C)C(C)C
InChIInChI=1S/C12H20N2S/c1-8(2)12(4)5-6-13-7-10-11(12)14-9(3)15-10/h8,13H,5-7H2,1-4H3
InChIKeyVTQVHQJNRZEHPT-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.86
Rot. Bonds1

About 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine

2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine (PubChem CID 144812760) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine.

Molecular Properties

Compound Name2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine
PubChem CID144812760
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine
SMILESCc1nc2c(s1)CNCCC2(C)C(C)C
InChIInChI=1S/C12H20N2S/c1-8(2)12(4)5-6-13-7-10-11(12)14-9(3)15-10/h8,13H,5-7H2,1-4H3
InChIKeyVTQVHQJNRZEHPT-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine 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 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine?
The IUPAC name of 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine (CID 144812760) is 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine.
What is the SMILES notation for 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine?
The canonical SMILES for 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine is Cc1nc2c(s1)CNCCC2(C)C(C)C.
What is the InChIKey of 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine?
The InChIKey is VTQVHQJNRZEHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8(2)12(4)5-6-13-7-10-11(12)14-9(3)15-10/h8,13H,5-7H2,1-4H3.
What are the key properties of 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine?
2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine has a molecular weight of 224.37 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-8-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]azepine is sourced from PubChem (CID 144812760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).