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

C13H22N4S — CID 103359186

IUPAC4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CC2CCC(C1)N2C
InChIInChI=1S/C13H22N4S/c1-8-12(14)16-18-13(8)15-7-9-5-10-3-4-11(6-9)17(10)2/h9-11,15H,3-7H2,1-2H3,(H2,14,16)
InChIKeyKPCIOHDBCBKHAA-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.32
Rot. Bonds3

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

4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359186) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103359186
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCC1CC2CCC(C1)N2C
InChIInChI=1S/C13H22N4S/c1-8-12(14)16-18-13(8)15-7-9-5-10-3-4-11(6-9)17(10)2/h9-11,15H,3-7H2,1-2H3,(H2,14,16)
InChIKeyKPCIOHDBCBKHAA-UHFFFAOYSA-N
XLogP2.32
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103359186) is 4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCC1CC2CCC(C1)N2C.
What is the InChIKey of 4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is KPCIOHDBCBKHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-8-12(14)16-18-13(8)15-7-9-5-10-3-4-11(6-9)17(10)2/h9-11,15H,3-7H2,1-2H3,(H2,14,16).
What are the key properties of 4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 266.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).