1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine

C15H16ClNS — CID 19826893

IUPAC1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine
SMILESCN1CCc2c(csc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C15H16ClNS/c1-17-8-7-12-14(10-18-15(12)16)13(9-17)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyZSJULCWSRBRAKU-UHFFFAOYSA-N
MW277.82 g/mol
LogP4.02
Rot. Bonds1

About 1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine

1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine (PubChem CID 19826893) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is 1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine.

Molecular Properties

Compound Name1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine
PubChem CID19826893
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC Name1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine
SMILESCN1CCc2c(csc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C15H16ClNS/c1-17-8-7-12-14(10-18-15(12)16)13(9-17)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3
InChIKeyZSJULCWSRBRAKU-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.82
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]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 1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine?
The IUPAC name of 1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine (CID 19826893) is 1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine.
What is the SMILES notation for 1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine?
The canonical SMILES for 1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine is CN1CCc2c(csc2Cl)C(c2ccccc2)C1.
What is the InChIKey of 1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine?
The InChIKey is ZSJULCWSRBRAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS/c1-17-8-7-12-14(10-18-15(12)16)13(9-17)11-5-3-2-4-6-11/h2-6,10,13H,7-9H2,1H3.
What are the key properties of 1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine?
1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine has a molecular weight of 277.82 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-methyl-4-phenyl-4,5,7,8-tetrahydrothieno[3,4-d]azepine is sourced from PubChem (CID 19826893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).