N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine

C11H18BrN3S — CID 102637615

IUPACN-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(C)C2CCCCC2Br)n1
InChIInChI=1S/C11H18BrN3S/c1-3-10-13-11(16-14-10)15(2)9-7-5-4-6-8(9)12/h8-9H,3-7H2,1-2H3
InChIKeyXUTFHXLYKWUIQF-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.24
Rot. Bonds3

About N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine

N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 102637615) has the molecular formula C11H18BrN3S and a molecular weight of 304.26 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID102637615
Molecular FormulaC11H18BrN3S
Molecular Weight304.26 g/mol
Exact Mass303.04
IUPAC NameN-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(C)C2CCCCC2Br)n1
InChIInChI=1S/C11H18BrN3S/c1-3-10-13-11(16-14-10)15(2)9-7-5-4-6-8(9)12/h8-9H,3-7H2,1-2H3
InChIKeyXUTFHXLYKWUIQF-UHFFFAOYSA-N
XLogP3.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine (CID 102637615) is N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine is CCc1nsc(N(C)C2CCCCC2Br)n1.
What is the InChIKey of N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is XUTFHXLYKWUIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3S/c1-3-10-13-11(16-14-10)15(2)9-7-5-4-6-8(9)12/h8-9H,3-7H2,1-2H3.
What are the key properties of N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 304.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 102637615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).