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

C13H21N3S — CID 65273257

IUPAC3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2C3(C)CCC(C3)C2(C)C)n1
InChIInChI=1S/C13H21N3S/c1-8-14-11(17-16-8)15-10-12(2,3)9-5-6-13(10,4)7-9/h9-10H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyFGWXYEOVNPLNRH-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.47
Rot. Bonds2

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

3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65273257) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine
PubChem CID65273257
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2C3(C)CCC(C3)C2(C)C)n1
InChIInChI=1S/C13H21N3S/c1-8-14-11(17-16-8)15-10-12(2,3)9-5-6-13(10,4)7-9/h9-10H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyFGWXYEOVNPLNRH-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine (CID 65273257) is 3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2C3(C)CCC(C3)C2(C)C)n1.
What is the InChIKey of 3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FGWXYEOVNPLNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-8-14-11(17-16-8)15-10-12(2,3)9-5-6-13(10,4)7-9/h9-10H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 251.40 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).