2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide

C9H15BrN2S — CID 86686502

IUPAC2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide
SMILESBr.Cc1nc2c(s1)C(C)CNCC2
InChIInChI=1S/C9H14N2S.BrH/c1-6-5-10-4-3-8-9(6)12-7(2)11-8;/h6,10H,3-5H2,1-2H3;1H
InChIKeyNHYXJWGBWCBTAQ-UHFFFAOYSA-N
MW263.20 g/mol
LogP2.28
Rot. Bonds

About 2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide

2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide (PubChem CID 86686502) has the molecular formula C9H15BrN2S and a molecular weight of 263.20 g/mol. Its IUPAC name is 2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide.

Molecular Properties

Compound Name2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide
PubChem CID86686502
Molecular FormulaC9H15BrN2S
Molecular Weight263.20 g/mol
Exact Mass262.01
IUPAC Name2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide
SMILESBr.Cc1nc2c(s1)C(C)CNCC2
InChIInChI=1S/C9H14N2S.BrH/c1-6-5-10-4-3-8-9(6)12-7(2)11-8;/h6,10H,3-5H2,1-2H3;1H
InChIKeyNHYXJWGBWCBTAQ-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide?
The IUPAC name of 2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide (CID 86686502) is 2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide.
What is the SMILES notation for 2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide?
The canonical SMILES for 2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide is Br.Cc1nc2c(s1)C(C)CNCC2.
What is the InChIKey of 2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide?
The InChIKey is NHYXJWGBWCBTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.BrH/c1-6-5-10-4-3-8-9(6)12-7(2)11-8;/h6,10H,3-5H2,1-2H3;1H.
What are the key properties of 2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide?
2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide has a molecular weight of 263.20 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;hydrobromide is sourced from PubChem (CID 86686502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).