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

C11H17N3S — CID 65272772

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CC3CCC2C3)n1
InChIInChI=1S/C11H17N3S/c1-7-13-11(15-14-7)12-6-10-5-8-2-3-9(10)4-8/h8-10H,2-6H2,1H3,(H,12,13,14)
InChIKeyFRWAVQGLUPSVAX-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.69
Rot. Bonds3

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

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65272772) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65272772
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CC3CCC2C3)n1
InChIInChI=1S/C11H17N3S/c1-7-13-11(15-14-7)12-6-10-5-8-2-3-9(10)4-8/h8-10H,2-6H2,1H3,(H,12,13,14)
InChIKeyFRWAVQGLUPSVAX-UHFFFAOYSA-N
XLogP2.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.69
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
N-[(2-methylcyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304864
N-[2-(3-methylcyclohexyl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304975
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-(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
3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65267763

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65272772) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC2CC3CCC2C3)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FRWAVQGLUPSVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-7-13-11(15-14-7)12-6-10-5-8-2-3-9(10)4-8/h8-10H,2-6H2,1H3,(H,12,13,14).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 223.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65272772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).