5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine

C12H20N4S — CID 65209321

IUPAC5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CC3CCC(C2)N3C)s1
InChIInChI=1S/C12H20N4S/c1-8-14-15-12(17-8)13-7-9-5-10-3-4-11(6-9)16(10)2/h9-11H,3-7H2,1-2H3,(H,13,15)
InChIKeyZAXYCSRMRRSTOT-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.13
Rot. Bonds3

About 5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 65209321) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID65209321
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2CC3CCC(C2)N3C)s1
InChIInChI=1S/C12H20N4S/c1-8-14-15-12(17-8)13-7-9-5-10-3-4-11(6-9)16(10)2/h9-11H,3-7H2,1-2H3,(H,13,15)
InChIKeyZAXYCSRMRRSTOT-UHFFFAOYSA-N
XLogP2.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 65209321) is 5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC2CC3CCC(C2)N3C)s1.
What is the InChIKey of 5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZAXYCSRMRRSTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-8-14-15-12(17-8)13-7-9-5-10-3-4-11(6-9)16(10)2/h9-11H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 252.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65209321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).