2H-[1,3]thiazolo[4,5-i][1]benzazepine

C11H8N2S — CID 70272819

IUPAC2H-[1,3]thiazolo[4,5-i][1]benzazepine
SMILESC1=CC=c2ccc3c(c2N=C1)SCN=3
InChIInChI=1S/C11H8N2S/c1-2-6-12-10-8(3-1)4-5-9-11(10)14-7-13-9/h1-6H,7H2
InChIKeyUSTJGCPYSDIATB-UHFFFAOYSA-N
MW200.27 g/mol
LogP1.42
Rot. Bonds

About 2H-[1,3]thiazolo[4,5-i][1]benzazepine

2H-[1,3]thiazolo[4,5-i][1]benzazepine (PubChem CID 70272819) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 2H-[1,3]thiazolo[4,5-i][1]benzazepine.

Molecular Properties

Compound Name2H-[1,3]thiazolo[4,5-i][1]benzazepine
PubChem CID70272819
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name2H-[1,3]thiazolo[4,5-i][1]benzazepine
SMILESC1=CC=c2ccc3c(c2N=C1)SCN=3
InChIInChI=1S/C11H8N2S/c1-2-6-12-10-8(3-1)4-5-9-11(10)14-7-13-9/h1-6H,7H2
InChIKeyUSTJGCPYSDIATB-UHFFFAOYSA-N
XLogP1.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-[1,3]thiazolo[4,5-i][1]benzazepine?
The IUPAC name of 2H-[1,3]thiazolo[4,5-i][1]benzazepine (CID 70272819) is 2H-[1,3]thiazolo[4,5-i][1]benzazepine.
What is the SMILES notation for 2H-[1,3]thiazolo[4,5-i][1]benzazepine?
The canonical SMILES for 2H-[1,3]thiazolo[4,5-i][1]benzazepine is C1=CC=c2ccc3c(c2N=C1)SCN=3.
What is the InChIKey of 2H-[1,3]thiazolo[4,5-i][1]benzazepine?
The InChIKey is USTJGCPYSDIATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-6-12-10-8(3-1)4-5-9-11(10)14-7-13-9/h1-6H,7H2.
What are the key properties of 2H-[1,3]thiazolo[4,5-i][1]benzazepine?
2H-[1,3]thiazolo[4,5-i][1]benzazepine has a molecular weight of 200.27 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-[1,3]thiazolo[4,5-i][1]benzazepine is sourced from PubChem (CID 70272819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).