5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride

C14H22ClN3S — CID 120902936

IUPAC5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CC3CC4CC(C3)CC2C4)s1
InChIInChI=1S/C14H21N3S.ClH/c15-14-16-6-13(18-14)8-17-7-11-2-9-1-10(3-11)5-12(17)4-9;/h6,9-12H,1-5,7-8H2,(H2,15,16);1H
InChIKeyQKYNDKAENPCYQP-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.16
Rot. Bonds2

About 5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride

5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120902936) has the molecular formula C14H22ClN3S and a molecular weight of 299.87 g/mol. Its IUPAC name is 5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
PubChem CID120902936
Molecular FormulaC14H22ClN3S
Molecular Weight299.87 g/mol
Exact Mass299.12
IUPAC Name5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1ncc(CN2CC3CC4CC(C3)CC2C4)s1
InChIInChI=1S/C14H21N3S.ClH/c15-14-16-6-13(18-14)8-17-7-11-2-9-1-10(3-11)5-12(17)4-9;/h6,9-12H,1-5,7-8H2,(H2,15,16);1H
InChIKeyQKYNDKAENPCYQP-UHFFFAOYSA-N
XLogP3.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903534
5-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79772681
5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900526
4-[(2-amino-1,3-thiazol-5-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 120903823
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899926
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176
5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902676
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772405
5-[(2,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120900568
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771907
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 115882742
5-[(3-methylsulfonylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79773868

Frequently Asked Questions

What is the IUPAC name of 5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride (CID 120902936) is 5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1ncc(CN2CC3CC4CC(C3)CC2C4)s1.
What is the InChIKey of 5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is QKYNDKAENPCYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S.ClH/c15-14-16-6-13(18-14)8-17-7-11-2-9-1-10(3-11)5-12(17)4-9;/h6,9-12H,1-5,7-8H2,(H2,15,16);1H.
What are the key properties of 5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride?
5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 299.87 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120902936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).