5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole

C14H22N2S — CID 131939365

IUPAC5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2C[C@H]3CCC[C@@H](C3)C2)s1
InChIInChI=1S/C14H22N2S/c1-10-14(17-11(2)15-10)9-16-7-12-4-3-5-13(6-12)8-16/h12-13H,3-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyHAARZUJOTPUIKV-STQMWFEESA-N
MW250.41 g/mol
LogP3.38
Rot. Bonds2

About 5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole

5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 131939365) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID131939365
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2C[C@H]3CCC[C@@H](C3)C2)s1
InChIInChI=1S/C14H22N2S/c1-10-14(17-11(2)15-10)9-16-7-12-4-3-5-13(6-12)8-16/h12-13H,3-9H2,1-2H3/t12-,13-/m0/s1
InChIKeyHAARZUJOTPUIKV-STQMWFEESA-N
XLogP3.38
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole with MolForge

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Related Compounds

5-[(4-cyclobutylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 155980200
(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 129470952
N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide
CID 154582450
5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-4-chloro-2-pyrrolidin-1-yl-1,3-thiazole
CID 74245660
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol
CID 162798872
N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 154829593
N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95210718
2,4-dimethyl-5-[[5-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-thiazole
CID 155974698
1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 71978470
2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine
CID 114196784
(3S,5S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 167764837
5-[(4-benzylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 154829009

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole (CID 131939365) is 5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(CN2C[C@H]3CCC[C@@H](C3)C2)s1.
What is the InChIKey of 5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is HAARZUJOTPUIKV-STQMWFEESA-N. The full InChI is InChI=1S/C14H22N2S/c1-10-14(17-11(2)15-10)9-16-7-12-4-3-5-13(6-12)8-16/h12-13H,3-9H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole?
5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 250.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 131939365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).