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

C12H20N4S — CID 103359189

IUPAC5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCN1C2CCC1CC(CNc1cc(N)ns1)C2
InChIInChI=1S/C12H20N4S/c1-16-9-2-3-10(16)5-8(4-9)7-14-12-6-11(13)15-17-12/h6,8-10,14H,2-5,7H2,1H3,(H2,13,15)
InChIKeySENQCFQADCZKPB-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.01
Rot. Bonds3

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

5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103359189) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103359189
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCN1C2CCC1CC(CNc1cc(N)ns1)C2
InChIInChI=1S/C12H20N4S/c1-16-9-2-3-10(16)5-8(4-9)7-14-12-6-11(13)15-17-12/h6,8-10,14H,2-5,7H2,1H3,(H2,13,15)
InChIKeySENQCFQADCZKPB-UHFFFAOYSA-N
XLogP2.01
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103359184
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-(2-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359195
5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103359232
5-N-(1-ethylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103359353
5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103359379
5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103359396
5-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-thiazole-3,5-diamine
CID 103359418
5-N-(1-methylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103359427
5-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1,2-thiazole-3,5-diamine
CID 103359440
5-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103359447
5-N-(4,4-dimethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103359641

Frequently Asked Questions

What is the IUPAC name of 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103359189) is 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 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine is CN1C2CCC1CC(CNc1cc(N)ns1)C2.
What is the InChIKey of 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is SENQCFQADCZKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-16-9-2-3-10(16)5-8(4-9)7-14-12-6-11(13)15-17-12/h6,8-10,14H,2-5,7H2,1H3,(H2,13,15).
What are the key properties of 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine?
5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 252.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).