N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine

C12H19N3S — CID 65268313

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C12H19N3S/c1-7(13-12-14-8(2)15-16-12)11-6-9-3-4-10(11)5-9/h7,9-11H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyFVDYQMXBVBYINJ-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.08
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268313) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65268313
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)C2CC3CCC2C3)n1
InChIInChI=1S/C12H19N3S/c1-7(13-12-14-8(2)15-16-12)11-6-9-3-4-10(11)5-9/h7,9-11H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyFVDYQMXBVBYINJ-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-tricyclo[3.2.1.02,4]octanyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105666258
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304673
3-(trifluoromethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine
CID 107304983
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113943958
N-(2,3-dimethylcyclohexyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267443
3-methyl-N-(2-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65267502
3-methyl-N-(4-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65267621
3-methyl-N-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65267632
N-(2-cyclopentylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267683
N-(2-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267684
N-(1-cyclohexylethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267693
N-(1-cyclohexylpropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267694

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 65268313) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NC(C)C2CC3CCC2C3)n1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FVDYQMXBVBYINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-7(13-12-14-8(2)15-16-12)11-6-9-3-4-10(11)5-9/h7,9-11H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 237.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).