4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine

C16H25N3OS — CID 105365679

IUPAC4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOCCNC1(c2nc3c(s2)CCC3)CCN2CCC1C2
InChIInChI=1S/C16H25N3OS/c1-20-10-7-17-16(6-9-19-8-5-12(16)11-19)15-18-13-3-2-4-14(13)21-15/h12,17H,2-11H2,1H3
InChIKeyJWMMUHYMSDJMSP-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.79
Rot. Bonds5

About 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine

4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105365679) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound Name4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105365679
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOCCNC1(c2nc3c(s2)CCC3)CCN2CCC1C2
InChIInChI=1S/C16H25N3OS/c1-20-10-7-17-16(6-9-19-8-5-12(16)11-19)15-18-13-3-2-4-14(13)21-15/h12,17H,2-11H2,1H3
InChIKeyJWMMUHYMSDJMSP-UHFFFAOYSA-N
XLogP1.79
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105365679) is 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine is COCCNC1(c2nc3c(s2)CCC3)CCN2CCC1C2.
What is the InChIKey of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is JWMMUHYMSDJMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-20-10-7-17-16(6-9-19-8-5-12(16)11-19)15-18-13-3-2-4-14(13)21-15/h12,17H,2-11H2,1H3.
What are the key properties of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine?
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 307.46 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105365679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).