3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine

C11H15N3S — CID 103894653

IUPAC3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2C3C4CCC(C4)C23)n1
InChIInChI=1S/C11H15N3S/c1-5-12-11(15-14-5)13-10-8-6-2-3-7(4-6)9(8)10/h6-10H,2-4H2,1H3,(H,12,13,14)
InChIKeyBWPQDAXYTCNEHN-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.30
Rot. Bonds2

About 3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103894653) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine
PubChem CID103894653
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2C3C4CCC(C4)C23)n1
InChIInChI=1S/C11H15N3S/c1-5-12-11(15-14-5)13-10-8-6-2-3-7(4-6)9(8)10/h6-10H,2-4H2,1H3,(H,12,13,14)
InChIKeyBWPQDAXYTCNEHN-UHFFFAOYSA-N
XLogP2.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine (CID 103894653) is 3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2C3C4CCC(C4)C23)n1.
What is the InChIKey of 3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BWPQDAXYTCNEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-5-12-11(15-14-5)13-10-8-6-2-3-7(4-6)9(8)10/h6-10H,2-4H2,1H3,(H,12,13,14).
What are the key properties of 3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 221.33 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103894653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).