5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine

C10H18BrN3S — CID 64623895

IUPAC5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)CCCC(C)Nc1nnc(Br)s1
InChIInChI=1S/C10H18BrN3S/c1-7(2)5-4-6-8(3)12-10-14-13-9(11)15-10/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyKGKMBJAUNCRMRU-UHFFFAOYSA-N
MW292.25 g/mol
LogP3.93
Rot. Bonds6

About 5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 64623895) has the molecular formula C10H18BrN3S and a molecular weight of 292.25 g/mol. Its IUPAC name is 5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine
PubChem CID64623895
Molecular FormulaC10H18BrN3S
Molecular Weight292.25 g/mol
Exact Mass291.04
IUPAC Name5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)CCCC(C)Nc1nnc(Br)s1
InChIInChI=1S/C10H18BrN3S/c1-7(2)5-4-6-8(3)12-10-14-13-9(11)15-10/h7-8H,4-6H2,1-3H3,(H,12,14)
InChIKeyKGKMBJAUNCRMRU-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine (CID 64623895) is 5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine is CC(C)CCCC(C)Nc1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KGKMBJAUNCRMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3S/c1-7(2)5-4-6-8(3)12-10-14-13-9(11)15-10/h7-8H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 292.25 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-methylheptan-2-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64623895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).