5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole

C9H15BrN2OS — CID 102618186

IUPAC5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole
SMILESCCOC(CC)(CC)c1nsc(Br)n1
InChIInChI=1S/C9H15BrN2OS/c1-4-9(5-2,13-6-3)7-11-8(10)14-12-7/h4-6H2,1-3H3
InChIKeyVXBNAYUIULFTPB-UHFFFAOYSA-N
MW279.20 g/mol
LogP3.35
Rot. Bonds5

About 5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole

5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole (PubChem CID 102618186) has the molecular formula C9H15BrN2OS and a molecular weight of 279.20 g/mol. Its IUPAC name is 5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole
PubChem CID102618186
Molecular FormulaC9H15BrN2OS
Molecular Weight279.20 g/mol
Exact Mass278.01
IUPAC Name5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole
SMILESCCOC(CC)(CC)c1nsc(Br)n1
InChIInChI=1S/C9H15BrN2OS/c1-4-9(5-2,13-6-3)7-11-8(10)14-12-7/h4-6H2,1-3H3
InChIKeyVXBNAYUIULFTPB-UHFFFAOYSA-N
XLogP3.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-(1-methoxycyclohexyl)-1,2,4-thiadiazole
CID 102617885
5-Bromo-3-(1-methoxy-2-methylpropyl)-1,2,4-thiadiazole
CID 102617887
5-Bromo-3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-thiadiazole
CID 102617891
5-Bromo-3-(2-methyloxolan-2-yl)-1,2,4-thiadiazole
CID 102617920
5-Bromo-3-(1-ethoxy-2-methylpropyl)-1,2,4-thiadiazole
CID 102617952
5-Bromo-3-(1-ethoxyethyl)-1,2,4-thiadiazole
CID 102617980
5-Bromo-3-(2-methoxypropan-2-yl)-1,2,4-thiadiazole
CID 102617989
5-Bromo-3-(1-ethoxycyclopentyl)-1,2,4-thiadiazole
CID 102617991
5-Bromo-3-(1-methoxypropyl)-1,2,4-thiadiazole
CID 102618114
5-Bromo-3-(1-ethoxybutyl)-1,2,4-thiadiazole
CID 102618119
5-Bromo-3-(1-ethoxypropyl)-1,2,4-thiadiazole
CID 102618120
5-Bromo-3-(4-methoxyoxan-4-yl)-1,2,4-thiadiazole
CID 102618178

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole (CID 102618186) is 5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole is CCOC(CC)(CC)c1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole?
The InChIKey is VXBNAYUIULFTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2OS/c1-4-9(5-2,13-6-3)7-11-8(10)14-12-7/h4-6H2,1-3H3.
What are the key properties of 5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole?
5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole has a molecular weight of 279.20 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-ethoxypentan-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).