2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole

C9H13BrN2OS — CID 64623660

IUPAC2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole
SMILESBrc1nnc(OCC2CCCCC2)s1
InChIInChI=1S/C9H13BrN2OS/c10-8-11-12-9(14-8)13-6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyHRRLCJMZRZFGLV-UHFFFAOYSA-N
MW277.19 g/mol
LogP3.26
Rot. Bonds3

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

2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole (PubChem CID 64623660) has the molecular formula C9H13BrN2OS and a molecular weight of 277.19 g/mol. Its IUPAC name is 2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole
PubChem CID64623660
Molecular FormulaC9H13BrN2OS
Molecular Weight277.19 g/mol
Exact Mass275.99
IUPAC Name2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole
SMILESBrc1nnc(OCC2CCCCC2)s1
InChIInChI=1S/C9H13BrN2OS/c10-8-11-12-9(14-8)13-6-7-4-2-1-3-5-7/h7H,1-6H2
InChIKeyHRRLCJMZRZFGLV-UHFFFAOYSA-N
XLogP3.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole (CID 64623660) is 2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole is Brc1nnc(OCC2CCCCC2)s1.
What is the InChIKey of 2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole?
The InChIKey is HRRLCJMZRZFGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS/c10-8-11-12-9(14-8)13-6-7-4-2-1-3-5-7/h7H,1-6H2.
What are the key properties of 2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole?
2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole has a molecular weight of 277.19 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclohexylmethoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 64623660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).