4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C12H17N3OS — CID 120903823

IUPAC4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESNc1ncc(CN2CC3CC4CC3C2C4O)s1
InChIInChI=1S/C12H17N3OS/c13-12-14-3-8(17-12)5-15-4-7-1-6-2-9(7)10(15)11(6)16/h3,6-7,9-11,16H,1-2,4-5H2,(H2,13,14)
InChIKeyYAKFAFGNDJOKLG-UHFFFAOYSA-N
MW251.35 g/mol
LogP0.93
Rot. Bonds2

About 4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 120903823) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID120903823
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESNc1ncc(CN2CC3CC4CC3C2C4O)s1
InChIInChI=1S/C12H17N3OS/c13-12-14-3-8(17-12)5-15-4-7-1-6-2-9(7)10(15)11(6)16/h3,6-7,9-11,16H,1-2,4-5H2,(H2,13,14)
InChIKeyYAKFAFGNDJOKLG-UHFFFAOYSA-N
XLogP0.93
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol with MolForge

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Related Compounds

4-[(6-amino-2-pyridinyl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 114247708
5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
CID 120902936
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772405
1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol;hydrochloride
CID 120905747
4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 167913902
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176
[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol
CID 120903792
5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120899637
1-(5-chlorothiophen-2-yl)-2-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)ethanone
CID 114247509
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771907
5-[(2,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120900568
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 115882742

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 120903823) is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is Nc1ncc(CN2CC3CC4CC3C2C4O)s1.
What is the InChIKey of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is YAKFAFGNDJOKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c13-12-14-3-8(17-12)5-15-4-7-1-6-2-9(7)10(15)11(6)16/h3,6-7,9-11,16H,1-2,4-5H2,(H2,13,14).
What are the key properties of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 251.35 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 120903823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).