4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole

C11H17BrN2S — CID 79398696

IUPAC4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole
SMILESCCC1CCCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C11H17BrN2S/c1-2-9-4-3-6-14(7-5-9)11-13-10(12)8-15-11/h8-9H,2-7H2,1H3
InChIKeySVYIVNPLHDSZEI-UHFFFAOYSA-N
MW289.24 g/mol
LogP3.92
Rot. Bonds2

About 4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole

4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole (PubChem CID 79398696) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole
PubChem CID79398696
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole
SMILESCCC1CCCN(c2nc(Br)cs2)CC1
InChIInChI=1S/C11H17BrN2S/c1-2-9-4-3-6-14(7-5-9)11-13-10(12)8-15-11/h8-9H,2-7H2,1H3
InChIKeySVYIVNPLHDSZEI-UHFFFAOYSA-N
XLogP3.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Bromo-1,3-thiazol-2-YL)piperidine
CID 45787499
1-(4-Bromo-1,3-thiazol-2-yl)piperidine-4-carbonitrile
CID 86681442
4-Bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 79399927
4-Bromo-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 79400048
4-Bromo-2-(4-methylpiperidin-1-YL)thiazole
CID 45787528
4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine
CID 79400126
4-bromo-N-butyl-N-propyl-1,3-thiazol-2-amine
CID 144265177
4-Bromo-2-(8-methyl-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole
CID 145004465
4-Bromo-2-(3-methylpiperidino)thiazole
CID 45787540
4-Bromo-2-(2-methylpiperidino)thiazole
CID 45787541
1-[1-(4-bromo-1,3-thiazol-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 79398681
4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine
CID 79398683

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole (CID 79398696) is 4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole is CCC1CCCN(c2nc(Br)cs2)CC1.
What is the InChIKey of 4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole?
The InChIKey is SVYIVNPLHDSZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-2-9-4-3-6-14(7-5-9)11-13-10(12)8-15-11/h8-9H,2-7H2,1H3.
What are the key properties of 4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole?
4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole has a molecular weight of 289.24 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-ethylazepan-1-yl)-1,3-thiazole is sourced from PubChem (CID 79398696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).