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

C13H22N4S2 — CID 103359184

IUPAC5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC1CC2CCC(C1)N2C
InChIInChI=1S/C13H22N4S2/c1-17-9-3-4-10(17)6-8(5-9)7-15-13-11(18-2)12(14)16-19-13/h8-10,15H,3-7H2,1-2H3,(H2,14,16)
InChIKeyVOYFDPRQOWNINH-UHFFFAOYSA-N
MW298.48 g/mol
LogP2.73
Rot. Bonds4

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

5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103359184) has the molecular formula C13H22N4S2 and a molecular weight of 298.48 g/mol. Its IUPAC name is 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103359184
Molecular FormulaC13H22N4S2
Molecular Weight298.48 g/mol
Exact Mass298.13
IUPAC Name5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC1CC2CCC(C1)N2C
InChIInChI=1S/C13H22N4S2/c1-17-9-3-4-10(17)6-8(5-9)7-15-13-11(18-2)12(14)16-19-13/h8-10,15H,3-7H2,1-2H3,(H2,14,16)
InChIKeyVOYFDPRQOWNINH-UHFFFAOYSA-N
XLogP2.73
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-methyl-5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359186
5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359189
5-N-(2-methyl-3-piperidin-1-ylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359228
5-N-(1-ethylpiperidin-4-yl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359344
4-methylsulfanyl-5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359390
5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359414
5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359438
5-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359441
5-N-(4,4-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359633
5-N-(3,5-dimethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359745
5-N-(3-ethylcyclohexyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359764
5-N-(2,3-dimethylcyclopentyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359784

Frequently Asked Questions

What is the IUPAC name of 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103359184) is 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCC1CC2CCC(C1)N2C.
What is the InChIKey of 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is VOYFDPRQOWNINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S2/c1-17-9-3-4-10(17)6-8(5-9)7-15-13-11(18-2)12(14)16-19-13/h8-10,15H,3-7H2,1-2H3,(H2,14,16).
What are the key properties of 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 298.48 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).