5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C13H23ClN4S — CID 120901665

IUPAC5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCN1CCC2CCC(C1)N2Cc1cnc(N)s1.Cl
InChIInChI=1S/C13H22N4S.ClH/c1-2-16-6-5-10-3-4-11(8-16)17(10)9-12-7-15-13(14)18-12;/h7,10-11H,2-6,8-9H2,1H3,(H2,14,15);1H
InChIKeyYZLYKPISSLDTOI-UHFFFAOYSA-N
MW302.88 g/mol
LogP2.21
Rot. Bonds3

About 5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120901665) has the molecular formula C13H23ClN4S and a molecular weight of 302.88 g/mol. Its IUPAC name is 5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120901665
Molecular FormulaC13H23ClN4S
Molecular Weight302.88 g/mol
Exact Mass302.13
IUPAC Name5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCN1CCC2CCC(C1)N2Cc1cnc(N)s1.Cl
InChIInChI=1S/C13H22N4S.ClH/c1-2-16-6-5-10-3-4-11(8-16)17(10)9-12-7-15-13(14)18-12;/h7,10-11H,2-6,8-9H2,1H3,(H2,14,15);1H
InChIKeyYZLYKPISSLDTOI-UHFFFAOYSA-N
XLogP2.21
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.88
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
5-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898110
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572
[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 120900630
5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899430
5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901379
9-[(2-amino-1,3-thiazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride
CID 120901077
5-[(3-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901193

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120901665) is 5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is CCN1CCC2CCC(C1)N2Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is YZLYKPISSLDTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S.ClH/c1-2-16-6-5-10-3-4-11(8-16)17(10)9-12-7-15-13(14)18-12;/h7,10-11H,2-6,8-9H2,1H3,(H2,14,15);1H.
What are the key properties of 5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 302.88 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120901665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).