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

C15H25N3S — CID 65271430

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C(C)(C)C)ns1)C1CC2CCC1C2
InChIInChI=1S/C15H25N3S/c1-9(12-8-10-5-6-11(12)7-10)16-14-17-13(18-19-14)15(2,3)4/h9-12H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyOIHORCWCGZFRJP-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.07
Rot. Bonds3

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271430) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
PubChem CID65271430
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine
SMILESCC(Nc1nc(C(C)(C)C)ns1)C1CC2CCC1C2
InChIInChI=1S/C15H25N3S/c1-9(12-8-10-5-6-11(12)7-10)16-14-17-13(18-19-14)15(2,3)4/h9-12H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyOIHORCWCGZFRJP-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine with MolForge

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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
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
3-methyl-N-[(2-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65267868
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268313
N-ethyl-3-(3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65268747
3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268822

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine (CID 65271430) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine is CC(Nc1nc(C(C)(C)C)ns1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine?
The InChIKey is OIHORCWCGZFRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-9(12-8-10-5-6-11(12)7-10)16-14-17-13(18-19-14)15(2,3)4/h9-12H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-tert-butyl-1,2,4-thiadiazol-5-amine has a molecular weight of 279.45 g/mol, XLogP of 4.07, 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-tert-butyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).