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

C11H18F3N3S — CID 107304830

IUPACN-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCCC(C)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H18F3N3S/c1-7(2)5-4-6-8(3)15-10-16-9(17-18-10)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyUQOCMGKYVMQMCF-UHFFFAOYSA-N
MW281.35 g/mol
LogP4.18
Rot. Bonds6

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

N-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304830) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304830
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC NameN-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCCC(C)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C11H18F3N3S/c1-7(2)5-4-6-8(3)15-10-16-9(17-18-10)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyUQOCMGKYVMQMCF-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304830) is N-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CC(C)CCCC(C)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of N-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UQOCMGKYVMQMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-7(2)5-4-6-8(3)15-10-16-9(17-18-10)11(12,13)14/h7-8H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of N-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 281.35 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).