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

C15H26N4OS — CID 103359188

IUPAC5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCC1CC2CCC(C1)N2C
InChIInChI=1S/C15H26N4OS/c1-9(2)20-13-14(16)18-21-15(13)17-8-10-6-11-4-5-12(7-10)19(11)3/h9-12,17H,4-8H2,1-3H3,(H2,16,18)
InChIKeyBGAOAIXFIRYWDL-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.80
Rot. Bonds5

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

5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103359188) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103359188
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NCC1CC2CCC(C1)N2C
InChIInChI=1S/C15H26N4OS/c1-9(2)20-13-14(16)18-21-15(13)17-8-10-6-11-4-5-12(7-10)19(11)3/h9-12,17H,4-8H2,1-3H3,(H2,16,18)
InChIKeyBGAOAIXFIRYWDL-UHFFFAOYSA-N
XLogP2.80
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103359188) is 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-yloxy-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-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NCC1CC2CCC(C1)N2C.
What is the InChIKey of 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is BGAOAIXFIRYWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-9(2)20-13-14(16)18-21-15(13)17-8-10-6-11-4-5-12(7-10)19(11)3/h9-12,17H,4-8H2,1-3H3,(H2,16,18).
What are the key properties of 5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 310.47 g/mol, XLogP of 2.80, 5 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-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).