3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide

C13H14BrClN2S — CID 15563871

IUPAC3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide
SMILESBr.Clc1ccc(C2=CSC3=NCCCCN23)cc1
InChIInChI=1S/C13H13ClN2S.BrH/c14-11-5-3-10(4-6-11)12-9-17-13-15-7-1-2-8-16(12)13;/h3-6,9H,1-2,7-8H2;1H
InChIKeyASUNNHFWFXECRB-UHFFFAOYSA-N
MW345.69 g/mol
LogP4.41
Rot. Bonds1

About 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide

3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide (PubChem CID 15563871) has the molecular formula C13H14BrClN2S and a molecular weight of 345.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide
PubChem CID15563871
Molecular FormulaC13H14BrClN2S
Molecular Weight345.69 g/mol
Exact Mass343.97
IUPAC Name3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide
SMILESBr.Clc1ccc(C2=CSC3=NCCCCN23)cc1
InChIInChI=1S/C13H13ClN2S.BrH/c14-11-5-3-10(4-6-11)12-9-17-13-15-7-1-2-8-16(12)13;/h3-6,9H,1-2,7-8H2;1H
InChIKeyASUNNHFWFXECRB-UHFFFAOYSA-N
XLogP4.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.69
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide?
The IUPAC name of 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide (CID 15563871) is 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide.
What is the SMILES notation for 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide?
The canonical SMILES for 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide is Br.Clc1ccc(C2=CSC3=NCCCCN23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide?
The InChIKey is ASUNNHFWFXECRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S.BrH/c14-11-5-3-10(4-6-11)12-9-17-13-15-7-1-2-8-16(12)13;/h3-6,9H,1-2,7-8H2;1H.
What are the key properties of 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide?
3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide has a molecular weight of 345.69 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1,3]thiazolo[3,2-a][1,3]diazepine;hydrobromide is sourced from PubChem (CID 15563871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).