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

C10H15BrN2S — CID 79400292

IUPAC4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole
SMILESCC1CCCCCN1c1nc(Br)cs1
InChIInChI=1S/C10H15BrN2S/c1-8-5-3-2-4-6-13(8)10-12-9(11)7-14-10/h7-8H,2-6H2,1H3
InChIKeyYKQIXGHOGYHQLO-UHFFFAOYSA-N
MW275.21 g/mol
LogP3.67
Rot. Bonds1

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

4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole (PubChem CID 79400292) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole
PubChem CID79400292
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole
SMILESCC1CCCCCN1c1nc(Br)cs1
InChIInChI=1S/C10H15BrN2S/c1-8-5-3-2-4-6-13(8)10-12-9(11)7-14-10/h7-8H,2-6H2,1H3
InChIKeyYKQIXGHOGYHQLO-UHFFFAOYSA-N
XLogP3.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole (CID 79400292) is 4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole is CC1CCCCCN1c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole?
The InChIKey is YKQIXGHOGYHQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-8-5-3-2-4-6-13(8)10-12-9(11)7-14-10/h7-8H,2-6H2,1H3.
What are the key properties of 4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole?
4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole has a molecular weight of 275.21 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methylazepan-1-yl)-1,3-thiazole is sourced from PubChem (CID 79400292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).